Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 286.328 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 57.69 |
cLogP: | 0.6785 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine SCR: | Z30722976 |
Enamine REAL: | Z30722976 |
Enamine Extended REAL: | s_40____79524____79342 |
Mcule: | MCULE-7368386825 |
Mcule Ultimate: | XHJTYTNVOUGFFA-UHFFFAOYSA-N |
MolPort: | MolPort-004-625-999 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-09 |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-3
DAN-MCD-5c762fbe-1
0.760
AAR-POS-d2a4d1df-23
0.692
BEN-DND-03406596-10
0.692
DAN-MCD-50ec7d1f-1
0.692
LON-WEI-8f408cad-4
0.692
BEN-DND-03ad4429-3
0.692
MAR-TRE-6a44bbf2-18
0.692
MAK-UNK-10dfa458-5
0.692
MAK-UNK-10dfa458-29
0.679
ALE-MCD-a1893bfb-1
0.620
MAK-UNK-902cc841-7
0.612
ANT-OPE-7824651a-2
0.607
MAK-UNK-902cc841-8
0.594
BEN-DND-03406596-3
0.583
BEN-DND-76ad4ac9-14
0.583
BEN-DND-03ad4429-4
0.562
IND-SYN-6c8299e8-7
0.562
BEN-DND-03ad4429-1
0.558
BEN-DND-76ad4ac9-6
0.544
ANT-OPE-7824651a-1
0.540
MAK-UNK-6435e6c2-6
0.519
MAK-UNK-4c6b313a-1
0.509
MAK-UNK-6435e6c2-10
0.509
MAK-UNK-6435e6c2-11
0.509
TAT-ENA-80bfd3e5-43
0.500
KEN-MCD-6084b33e-1
0.500
MAK-UNK-7c9d1431-11
0.500
MAR-TRE-6a44bbf2-65
0.500
BEN-DND-03ad4429-2
0.492
IND-SYN-6c8299e8-2
0.484
DRR-IMP-dff87f5e-8
0.475
PEI-IMP-ca0b2813-3
0.462
MAC-MCD-4707377b-1
0.455
ABB-MCD-f8003a30-1
0.452
MAR-TRE-6a44bbf2-32
0.452
KEN-MCD-4729dc98-1
0.450
TAT-ENA-80bfd3e5-25
0.439
MAK-UNK-7c9d1431-4
0.439
MAK-UNK-6435e6c2-1
0.439
MAK-UNK-7c9d1431-10
0.429
MAK-UNK-23561bf6-1
0.421
KAY-MCD-59dc2eb3-1
0.414
MAK-UNK-7c9d1431-8
0.413
MAR-TRE-6a44bbf2-26
0.413
MAK-MCD-5988fef6-1
0.411
MAR-TRE-6a44bbf2-58
0.410
KAY-MCD-d0fe5261-1
0.410
DRR-IMP-dff87f5e-1
0.410
ABB-MCD-f549d731-1
0.409
JAY-UNK-11f5bdbd-1
0.403
ZAC-MCD-b48cf8fd-1
0.400
MAR-TRE-6a44bbf2-21
0.400
MAK-UNK-7c9d1431-9
0.400
MAK-UNK-7c9d1431-19
0.388
MAR-TRE-6a44bbf2-68
0.387
AAR-POS-d2a4d1df-27
0.387
MAR-LAB-efb042c5-5
0.387
SAD-SAT-2ceae68f-1
0.387
MAK-UNK-3f402c2b-2
0.386
ZAC-MCD-2bc172dc-1
0.385
PEI-IMP-3d837503-2
0.383
WIL-LEE-23e8b574-1
0.383
MAR-TRE-6a44bbf2-78
0.381
MAK-UNK-7c9d1431-13
0.381
BEN-DND-76ad4ac9-7
0.379
ALE-MCD-4ac17b19-1
0.378
MAT-POS-590ac91e-69
0.378
PEI-IMP-3d837503-4
0.377
SAD-SAT-bc31ec01-9
0.377
MAK-UNK-7c9d1431-3
0.377
DRR-IMP-dff87f5e-2
0.377
MIK-MCD-8542a490-1
0.370
PEI-IMP-ca0b2813-1
0.369
MAT-POS-ee51dedd-2
0.365
MAT-POS-b5746674-57
0.362
LON-WEI-8f408cad-2
0.359
AAR-POS-d2a4d1df-32
0.359
MAR-TRE-6a44bbf2-4
0.359
MAT-POS-590ac91e-57
0.358
MAT-POS-b5746674-55
0.355
MAK-UNK-902cc841-9
0.354
KAT-UNK-b2a0d5b1-1
0.353
MAR-TRE-6a44bbf2-49
0.352
MAK-UNK-7c9d1431-7
0.352
MAK-UNK-7c9d1431-5
0.352
MAR-TRE-6a44bbf2-31
0.352
MAK-UNK-10dfa458-18
0.349
AAR-POS-d2a4d1df-44
0.349
SAD-SAT-bc31ec01-5
0.349
DRR-IMP-dff87f5e-3
0.349
MAK-UNK-7c9d1431-17
0.348
MAK-UNK-c74072e5-8
0.348
DRR-IMP-dff87f5e-6
0.348
BEN-DND-03406596-8
0.348
JAN-GHE-1d98ec1c-7
0.347
LON-WEI-b8d98729-4
0.347
MAR-TRE-6a44bbf2-38
0.347
MAK-UNK-7c9d1431-1
0.347
MAK-UNK-902cc841-10
0.346
SAD-SAT-3a925b8b-2
0.344