prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5608-0021 |
| Compound Name: | prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1)C(C)=O)=O)c1ccccc1OC)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2529 |
| logD: | 1.5394 |
| logSw: | -4.369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.485 |
| InChI Key: | DNFHQQMEGPKOTN-SANMLTNESA-N |