N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1810 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C24 H21 Cl N4 O3 S |
| Smiles: | COc1cc(c(cc1NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.9171 |
| logD: | 3.906 |
| logSw: | -4.2151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.95 |
| InChI Key: | TYQCNOMRYZUEMM-UHFFFAOYSA-N |