N-[3-(methylsulfanyl)phenyl]-4-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-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: | G281-1469 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-(propan-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 451.65 |
| Molecular Formula: | C25 H29 N3 O S2 |
| Smiles: | CC(C)C1c2cccn2c2c(CN1C(Nc1cccc(c1)SC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8034 |
| logD: | 6.8034 |
| logSw: | -5.5317 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2148 |
| InChI Key: | IKTJQYNKRJESIL-HSZRJFAPSA-N |