N-[3-(methylsulfanyl)phenyl]-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Compound characteristics
| Compound ID: | J024-0844 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C25 H23 N3 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(N1C(C2=C(CCCC2=O)Nc2ccccc12)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4532 |
| logD: | 5.3908 |
| logSw: | -5.3408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.004 |
| InChI Key: | YMHHWVCDCHOBTO-DEOSSOPVSA-N |