methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0773 |
| Compound Name: | methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C26 H26 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1c(C)cc(C)cc1C)=O)c1ccccc1[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1849 |
| logD: | 2.3773 |
| logSw: | -5.6296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.758 |
| InChI Key: | JXVNJKBCOYAKDV-HSZRJFAPSA-N |