N-[(2-chlorophenyl)methyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[(2-chlorophenyl)methyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0416 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 480 |
| Molecular Formula: | C26 H23 Cl F N3 O S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)F)=N2)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1197 |
| logD: | 6.012 |
| logSw: | -6.0691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.661 |
| InChI Key: | LOMUEDYZKHNVFH-UHFFFAOYSA-N |