N-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-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-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-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: | C800-0701 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 506.04 |
| Molecular Formula: | C28 H25 Cl F N3 O S |
| Smiles: | Cc1ccc(cc1NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccc(cc1)F)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.746 |
| logD: | 7.746 |
| logSw: | -6.4998 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.2455 |
| InChI Key: | XFRPTPKNWAPBQM-AREMUKBSSA-N |