prop-2-en-1-yl 5-cyano-4-(2-methoxyphenyl)-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-4-(2-methoxyphenyl)-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-4-(2-methoxyphenyl)-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5608-0019 |
| Compound Name: | prop-2-en-1-yl 5-cyano-4-(2-methoxyphenyl)-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1)=O)c1ccccc1OC)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9354 |
| logD: | 2.2219 |
| logSw: | -4.6562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.658 |
| InChI Key: | IGVXAYHFITWPGX-VWLOTQADSA-N |