N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1580 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 496.46 |
| Molecular Formula: | C26 H23 Cl2 N3 O S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)[Cl])=N2)SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.0294 |
| logD: | 7.0232 |
| logSw: | -6.3954 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.641 |
| InChI Key: | AQTGIYYHYIUXKY-UHFFFAOYSA-N |