2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1622 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 447.99 |
| Molecular Formula: | C25 H22 Cl N3 O S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1CC(c2ccc(cc2)[Cl])=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2568 |
| logD: | 6.2561 |
| logSw: | -6.1109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | BTYQFIIUUASHAA-UHFFFAOYSA-N |