propan-2-yl 4-{[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-{[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
propan-2-yl 4-{[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-0406 |
| Compound Name: | propan-2-yl 4-{[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 471 |
| Molecular Formula: | C23 H19 Cl N2 O3 S2 |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(cc(c2cccs2)n1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0705 |
| logD: | 6.0705 |
| logSw: | -6.1424 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.11 |
| InChI Key: | QCAPLLDGIQXAAB-UHFFFAOYSA-N |