2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1807 |
| Compound Name: | 2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1316 |
| logD: | 4.1303 |
| logSw: | -4.2676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.991 |
| InChI Key: | GIVSPCMWJKFLPJ-UHFFFAOYSA-N |