methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-5771 |
| Compound Name: | methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 498 |
| Molecular Formula: | C25 H24 Cl N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(C(NC(=C1C#N)SCC(Nc1cccc(c1)[Cl])=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8995 |
| logD: | 4.7683 |
| logSw: | -5.0674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | NVZUKYGJIXAREM-UHFFFAOYSA-N |