prop-2-en-1-yl 5-cyano-6-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-cyano-6-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-6-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-1002 |
| Compound Name: | prop-2-en-1-yl 5-cyano-6-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 479.62 |
| Molecular Formula: | C25 H25 N3 O3 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cc(C)ccc1C)=O)c1cccs1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0515 |
| logD: | 1.1858 |
| logSw: | -3.909 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.348 |
| InChI Key: | DEKWTPFPUKVCRP-QHCPKHFHSA-N |