N-(4-chloro-5-methoxy-2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-5-methoxy-2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-chloro-5-methoxy-2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1942 |
| Compound Name: | N-(4-chloro-5-methoxy-2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C24 H21 Cl N4 O2 S |
| Smiles: | Cc1cc(c(cc1NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1656 |
| logD: | 4.162 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.319 |
| InChI Key: | WTAACIIZMJMIIT-UHFFFAOYSA-N |