Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(Br)c(CCN2CCCN(C(=O)CCl)CC2)c1 |
MW: | 438.775 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.71 |
cLogP: | 1.4121 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
Filter9_metal
aryl bromide
PAU-UNI-2d648ace-1
0.398
JOK-SYG-6ec557d2-1
0.396
AAR-POS-d2a4d1df-41
0.395
TAT-ENA-80bfd3e5-20
0.395
MIH-UNI-e573136b-4
0.386
SEL-UNI-cd366922-7
0.384
DAR-DIA-fb20be43-9
0.378
DAR-DIA-fb20be43-12
0.378
MAK-UNK-7c9d1431-21
0.375
MIH-UNI-e573136b-5
0.369
SAD-SAT-581007d4-4
0.361
BEN-DND-03406596-8
0.361
SAD-SAT-581007d4-3
0.361
AAR-POS-0daf6b7e-12
0.342
JOH-UNI-27ac80fd-23
0.342
JAY-UNK-11f5bdbd-1
0.338
BEN-DND-03406596-3
0.337
BEN-DND-76ad4ac9-14
0.337
NIR-THE-0d6461ce-5
0.337
MAK-UNK-15efde89-1
0.333
NIM-UNI-594fbbb6-3
0.333
NIM-UNI-bb610069-3
0.333
BEN-DND-76ad4ac9-8
0.329
MAK-UNK-af83ef51-17
0.327
STU-CHA-83dacf15-1
0.326
MED-COV-dea4df70-1
0.326
BEN-DND-76ad4ac9-10
0.326
BEN-DND-03406596-6
0.326
BEN-DND-76ad4ac9-9
0.326
BEN-DND-03406596-2
0.326
BEN-DND-76ad4ac9-12
0.326
BEN-DND-03406596-1
0.326
MAK-UNK-7c9d1431-10
0.325
ABB-MCD-f8003a30-1
0.325
MAR-TRE-6a44bbf2-32
0.325
DRR-IMP-dff87f5e-7
0.325
JOK-SYG-302da050-2
0.323
HAR-NEW-e34cb1ae-5
0.323
NIR-THE-0d6461ce-4
0.323
BEN-DND-03406596-9
0.322
BEN-DND-76ad4ac9-11
0.322
SAD-SAT-581007d4-6
0.321
JIA-UNI-93b03cae-1
0.321
PET-SGC-83d43576-1
0.319
JOH-UNI-27ac80fd-39
0.319
JOH-UNI-27ac80fd-38
0.318
WAR-XCH-bdd24732-25
0.318
SAD-SAT-5b1897b2-7
0.317
MAR-TRE-6a44bbf2-33
0.317
NEH-REV-107bcf72-5
0.317
PED-UNI-d0b586b3-1
0.315
WIL-LEE-23e8b574-7
0.313
DRR-IMP-dff87f5e-3
0.312
AAR-POS-d2a4d1df-44
0.312
AAR-POS-0daf6b7e-2
0.312
MAK-UNK-7c9d1431-29
0.312
MED-COV-4280ac29-37
0.311
BEN-DND-03406596-5
0.310
BEN-DND-76ad4ac9-13
0.310
SAD-SAT-1b030f84-8
0.310
STU-CHA-0f79177c-1
0.309
DRR-IMP-db50bf6e-5
0.309
DRR-IMP-dff87f5e-1
0.309
AAR-POS-d2a4d1df-27
0.309
KAY-MCD-d0fe5261-1
0.309
MAR-TRE-6a44bbf2-58
0.309
MAR-LAB-efb042c5-5
0.309
MAR-TRE-6a44bbf2-68
0.309
MAR-TRE-6a44bbf2-36
0.308
MAK-UNK-7c9d1431-2
0.308
MAK-UNK-af83ef51-14
0.307
STE-KUL-2e0d2e88-1
0.306
MIH-UNI-6b9ca91a-9
0.305
MAK-UNK-7c9d1431-20
0.305
NIM-UNI-05f93fcc-1
0.305
HEI-REL-0c990a45-2
0.304
SAD-SAT-f2e2579e-5
0.304
MAR-TRE-6a44bbf2-49
0.303
MAK-UNK-7c9d1431-7
0.303
STU-CHA-7e77017b-1
0.303
MAT-POS-ee51dedd-1
0.302
MAK-UNK-7c9d1431-14
0.302
STU-CHA-464c0256-1
0.302
HEI-REL-0c990a45-1
0.301
MAK-UNK-af83ef51-15
0.301
LON-WEI-8f408cad-7
0.300
AAR-POS-0daf6b7e-13
0.300
MAK-UNK-212f693e-8
0.300
HYO-UNK-50298ba0-1
0.300
DRR-IMP-38dce17f-3
0.299
MAK-UNK-7c9d1431-24
0.299
MAR-TRE-6a44bbf2-26
0.298
MAK-UNK-7c9d1431-8
0.298
MAK-UNK-c74072e5-8
0.298
ATU-SYN-3e3fbfe4-1
0.297
MAK-UNK-7c9d1431-28
0.296
TAM-UNI-d1c3dd9f-6
0.295
MAK-UNK-e4a48a85-13
0.294
TAM-UNI-d1c3dd9f-20
0.293
MED-COV-4280ac29-15
0.293