prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0303 |
| Compound Name: | prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)OC)=O)c1ccco1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5694 |
| logD: | 0.7037 |
| logSw: | -3.805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.15 |
| InChI Key: | PVGQNEPOGICEAT-JOCHJYFZSA-N |