ethyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0049 |
| Compound Name: | ethyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(NC1CCCCC1)=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7676 |
| logD: | 0.1085 |
| logSw: | -4.3475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.589 |
| InChI Key: | BFRIHGBQKRUYGQ-HSZRJFAPSA-N |