prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0997 |
| Compound Name: | prop-2-en-1-yl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C25 H23 N3 O4 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1)C(C)=O)=O)c1cccs1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7512 |
| logD: | 0.8855 |
| logSw: | -3.8692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.873 |
| InChI Key: | FQGJFZKEYRUQLC-QHCPKHFHSA-N |