methyl {[3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0368 |
| Compound Name: | methyl {[3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)c(c2ccc(c(c2)OC)OC)c(C#N)c(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7309 |
| logD: | 3.7304 |
| logSw: | -4.3131 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.278 |
| InChI Key: | UROIXSFDRDUVPM-UHFFFAOYSA-N |