4-[4-(propan-2-yl)phenyl]-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-(propan-2-yl)phenyl]-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
4-[4-(propan-2-yl)phenyl]-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | C800-0758 |
| Compound Name: | 4-[4-(propan-2-yl)phenyl]-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 362.54 |
| Molecular Formula: | C23 H26 N2 S |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2c2c(CN1)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9679 |
| logD: | 0.6425 |
| logSw: | -5.6249 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.417 |
| InChI Key: | JLXONRKCUSBCEQ-QFIPXVFZSA-N |