2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | D360-0642 |
| Compound Name: | 2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H16 N4 O4 S |
| Smiles: | COc1ccc(cc1)c1ccc(C#N)c(n1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7595 |
| logD: | 4.7586 |
| logSw: | -4.6111 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.573 |
| InChI Key: | HFBRHNPSODYHHF-UHFFFAOYSA-N |