ethyl 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-3-hydroxybut-2-enoate
Chemical Structure Depiction of
ethyl 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-3-hydroxybut-2-enoate
ethyl 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-3-hydroxybut-2-enoate
Compound characteristics
| Compound ID: | 8003-0387 |
| Compound Name: | ethyl 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-3-hydroxybut-2-enoate |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C24 H20 N2 O3 S |
| Smiles: | CCOC(/C(=C(/C)O)Sc1c(C#N)c(cc(c2ccccc2)n1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9117 |
| logD: | 5.7595 |
| logSw: | -5.4142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.129 |
| InChI Key: | ZCMPNKMTFTUUSX-UHFFFAOYSA-N |