ethyl {[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
ethyl {[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | 8001-3911 |
Compound Name: | ethyl {[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate |
Molecular Weight: | 461.54 |
Molecular Formula: | C25 H23 N3 O4 S |
Smiles: | CCOC(CSc1c(C#N)c(c2ccc(cc2)OC)c(C(Nc2ccccc2)=O)c(C)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.9047 |
logD: | 4.9042 |
logSw: | -4.7396 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.141 |
InChI Key: | WPEDXOISHOONGL-UHFFFAOYSA-N |