prop-2-en-1-yl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-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-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-1008 |
| Compound Name: | prop-2-en-1-yl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 546.06 |
| Molecular Formula: | C25 H24 Cl N3 O5 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cc(c(cc1OC)[Cl])OC)=O)c1cccs1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2991 |
| logD: | 1.4333 |
| logSw: | -4.5442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.609 |
| InChI Key: | BXNCVLHDIJOFGI-HSZRJFAPSA-N |