2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1940 |
| Compound Name: | 2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9989 |
| logD: | 2.9972 |
| logSw: | -3.534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.365 |
| InChI Key: | VKNVFIRXNQKYNN-UHFFFAOYSA-N |