4-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
4-(3,5-difluorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | C800-0749 |
| Compound Name: | 4-(3,5-difluorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C20 H18 F2 N2 S |
| Smiles: | C1CCc2c(C1)c1CNC(c3cc(cc(c3)F)F)c3cccn3c1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9539 |
| logD: | 0.6921 |
| logSw: | -4.8964 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.417 |
| InChI Key: | MKYCJQXVPZANGJ-IBGZPJMESA-N |