prop-2-en-1-yl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0249 |
| Compound Name: | prop-2-en-1-yl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C26 H24 F N3 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)F)=O)c1ccc(c(c1)OC)O)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5721 |
| logD: | 0.8586 |
| logSw: | -3.5813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.206 |
| InChI Key: | QPRZVLASJCTTEO-DEOSSOPVSA-N |