4-(3-chlorophenyl)-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-(3-chlorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
4-(3-chlorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | C800-0821 |
| Compound Name: | 4-(3-chlorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 354.9 |
| Molecular Formula: | C20 H19 Cl N2 S |
| Smiles: | C1CCc2c(C1)c1CNC(c3cccc(c3)[Cl])c3cccn3c1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3313 |
| logD: | 0.9162 |
| logSw: | -6.0592 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.417 |
| InChI Key: | ACMUPPDDQFBFEE-LJQANCHMSA-N |