prop-2-en-1-yl 5-cyano-6-{[2-(2,3-dimethylanilino)-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-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0410 |
| Compound Name: | prop-2-en-1-yl 5-cyano-6-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(C)c1C)=O)c1ccco1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2175 |
| logD: | 1.3518 |
| logSw: | -4.2342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.908 |
| InChI Key: | NGIJAYLWSCRZNR-HSZRJFAPSA-N |