N-(2-chloro-4-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-chloro-4-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1814 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 434.95 |
| Molecular Formula: | C23 H19 Cl N4 O S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3421 |
| logD: | 4.3407 |
| logSw: | -4.3653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.689 |
| InChI Key: | VRGWVGMDOALUJR-UHFFFAOYSA-N |