prop-2-en-1-yl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0616 |
| Compound Name: | prop-2-en-1-yl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C23 H20 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)[Cl])=O)c1ccco1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1818 |
| logD: | 1.316 |
| logSw: | -4.5601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.606 |
| InChI Key: | YZACYKUHHKXEBU-OAQYLSRUSA-N |