N-(3-chloro-4-methoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1780 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C23 H19 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1289 |
| logD: | 4.1274 |
| logSw: | -4.3713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.017 |
| InChI Key: | XAYYMSACJKXYBJ-UHFFFAOYSA-N |