N-(2-ethyl-6-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-ethyl-6-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1949 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Smiles: | CCc1cccc(C)c1NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.287 |
| logD: | 4.2857 |
| logSw: | -4.2753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.991 |
| InChI Key: | GKENTGCEAYHJCT-UHFFFAOYSA-N |