N-(2H-1,3-benzodioxol-5-yl)-2-{[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3231-0165 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 555.61 |
| Molecular Formula: | C30 H25 N3 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(c2ccccc2)nc(c1C#N)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9338 |
| logD: | 5.9338 |
| logSw: | -5.5902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.47 |
| InChI Key: | APDSPNAJNXIWGM-UHFFFAOYSA-N |