prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-1007 |
| Compound Name: | prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C26 H27 N3 O3 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1c(C)cc(C)cc1C)=O)c1cccs1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5235 |
| logD: | 1.6578 |
| logSw: | -4.2276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.65 |
| InChI Key: | IYQCTKYIHMHKPY-QHCPKHFHSA-N |