N-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)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-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)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: | G281-0329 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C29 H28 F N3 O S2 |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2c(CN1C(NCc1ccc(cc1)F)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3746 |
| logD: | 7.3746 |
| logSw: | -5.6416 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.2654 |
| InChI Key: | PIKPISGUEZFUQC-MHZLTWQESA-N |