4-(4-methylphenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
4-(4-methylphenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
4-(4-methylphenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | C800-0754 |
| Compound Name: | 4-(4-methylphenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 334.48 |
| Molecular Formula: | C21 H22 N2 S |
| Smiles: | Cc1ccc(cc1)C1c2cccn2c2c(CN1)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0531 |
| logD: | -0.2723 |
| logSw: | -4.5494 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.417 |
| InChI Key: | XTTROIVPHBPSFF-FQEVSTJZSA-N |