Molecular Properties | |
SMILES: | N#Cc1ccc(/C=C/C2=CC(N3CCN(C(=O)CCl)CC3)OC2=O)cc1 |
MW: | 371.824 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 73.64 |
cLogP: | 1.76378 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
phenylethene
FAB-UNK-7ad5ab26-1
1.000
FAB-UNK-03d90bbc-1
1.000
MAK-UNK-90d0606b-4
0.558
MAK-UNK-6ca90168-14
0.408
DRR-IMP-38dce17f-7
0.408
MAK-UNK-987948f6-3
0.390
FAB-UNK-7ad5ab26-3
0.380
DRR-IMP-dff87f5e-9
0.370
SWA-SYN-6423ea73-7
0.361
SWA-SYN-d2e6fa14-7
0.361
FAB-UNK-2931f40a-1
0.343
SAD-SAT-f2e2579e-10
0.330
MAK-UNK-6ca90168-6
0.329
SAD-SAT-65574d3f-1
0.329
AHN-SAT-de2502ba-14
0.329
TAM-UNI-d1c3dd9f-18
0.326
MAT-POS-ee51dedd-1
0.326
SAD-SAT-5b1897b2-4
0.321
MAR-TRE-6a44bbf2-92
0.313
DAV-CRI-d1e0885a-1
0.310
MAK-UNK-6ca90168-9
0.310
DAR-DIA-fb20be43-3
0.309
FAB-UNK-7ad5ab26-2
0.308
AAR-POS-d2a4d1df-37
0.307
MAR-TRE-6a44bbf2-7
0.307
DAR-DIA-fb20be43-6
0.305
MAK-UNK-6ca90168-8
0.303
MAR-TRE-6a44bbf2-1
0.302
DAR-DIA-3e9bbd81-11
0.301
VIK-SYN-9a3d118a-8
0.300
MAK-UNK-10dfa458-40
0.300
MAK-UNK-6ca90168-7
0.300
MAR-TRE-6a44bbf2-29
0.299
MAK-UNK-6ca90168-5
0.299
TAM-UNI-d1c3dd9f-17
0.298
MAK-UNK-6ca90168-4
0.298
MAK-UNK-6ca90168-10
0.293
MAR-TRE-6a44bbf2-77
0.291
WAR-XCH-b0339bbe-18
0.289
DAR-DIA-fb20be43-16
0.288
TAM-UNI-d1c3dd9f-1
0.288
MAK-UNK-6ca90168-17
0.288
MAK-UNK-6ca90168-18
0.288
TAT-ENA-80bfd3e5-10
0.287
SAD-SAT-c989feaa-2
0.287
MAK-UNK-c74072e5-4
0.287
MAK-UNK-6ca90168-3
0.284
AAR-POS-d2a4d1df-29
0.284
SAD-SAT-3a925b8b-5
0.284
MAR-TRE-6a44bbf2-61
0.284
AAR-POS-d2a4d1df-24
0.282
GIA-UNK-20b63697-9
0.281
MAK-UNK-10dfa458-39
0.281
NIR-THE-0d6461ce-1
0.281
SAD-SAT-bc31ec01-10
0.280
PED-UNI-b79f0f51-2
0.280
MED-COV-4280ac29-7
0.280
PAU-WEI-b9b69149-6
0.279
MAK-UNK-849bee6c-7
0.278
MED-COV-4280ac29-34
0.278
SAD-SAT-f2e2579e-4
0.277
SAD-SAT-65574d3f-9
0.277
DRR-IMP-38dce17f-1
0.277
SAD-SAT-1b030f84-9
0.277
TAM-UNI-d1c3dd9f-16
0.277
MAK-UNK-7c9d1431-27
0.276
NIR-THE-0d6461ce-7
0.276
MAK-UNK-849bee6c-9
0.276
MAK-UNK-7c9d1431-24
0.275
MAK-UNK-987948f6-2
0.275
DRR-IMP-38dce17f-3
0.275
DRR-IMP-db50bf6e-4
0.275
MED-COV-4280ac29-11
0.275
PAU-WEI-b9b69149-4
0.275
AAR-POS-0daf6b7e-17
0.274
MAK-UNK-7c9d1431-28
0.274
DRR-IMP-38dce17f-5
0.274
LON-WEI-8f408cad-5
0.274
BRU-LEF-ae0885ba-1
0.274
PAU-UNI-52c0427f-1
0.274
MIH-UNI-e573136b-7
0.274
DAR-DIA-fb20be43-4
0.274
NIL-NON-a189c016-1
0.273
MAT-POS-162a9720-2
0.273
AHN-SAT-de2502ba-15
0.273
MAK-UNK-af83ef51-2
0.273
MAK-UNK-849bee6c-5
0.272
GIA-UNK-7337c2f3-8
0.272
SAD-SAT-5b1897b2-6
0.272
MAK-UNK-849bee6c-1
0.271
PAU-WEI-b9b69149-5
0.271
SEL-UNI-cd366922-9
0.271
SAD-SAT-3a925b8b-2
0.271
MAR-LAB-ca4662a6-2
0.271
JOH-UNI-0e1753c1-3
0.271
HYO-UNK-49a60884-1
0.271
MED-COV-4280ac29-15
0.271
AAR-POS-d2a4d1df-35
0.271
MAK-UNK-6c8f5f75-1
0.270
MED-COV-4280ac29-12
0.270