methyl 6-{[2-(4-acetylanilino)-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-(4-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0310 |
| Compound Name: | methyl 6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C27 H27 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(C(NC(=C1C#N)SCC(Nc1ccc(cc1)C(C)=O)=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.688 |
| logD: | 3.5568 |
| logSw: | -3.9238 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.122 |
| InChI Key: | ITHPGXPEAFBZFP-UHFFFAOYSA-N |