methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-5876 |
| Compound Name: | methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(C(NC(=C1C#N)SCC(Nc1ccc(C)c(C)c1)=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1334 |
| logD: | 5.0022 |
| logSw: | -4.954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | CXYUUWMMANKFNT-UHFFFAOYSA-N |