N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G281-0556 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C28 H27 N3 O S2 |
| Smiles: | CSc1cccc(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3289 |
| logD: | 7.3289 |
| logSw: | -5.6267 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.9433 |
| InChI Key: | NUWDFSIMFLMCPD-SANMLTNESA-N |