propan-2-yl 4-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
propan-2-yl 4-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-0405 |
| Compound Name: | propan-2-yl 4-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(cc(c2ccccc2)n1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.709 |
| logD: | 5.7089 |
| logSw: | -5.5403 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.636 |
| InChI Key: | PGQGSBOZHNECOL-UHFFFAOYSA-N |