prop-2-en-1-yl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0291 |
| Compound Name: | prop-2-en-1-yl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(NC1CCCCC1)=O)c1ccco1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.483 |
| logD: | 0.6172 |
| logSw: | -3.8093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.653 |
| InChI Key: | LWOOODNNKAWLKJ-OAQYLSRUSA-N |