methyl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0291 |
| Compound Name: | methyl 6-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C24 H20 Cl N3 O5 S |
| Smiles: | CC(c1cccc(c1)NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1434 |
| logD: | 3.0122 |
| logSw: | -3.8071 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.122 |
| InChI Key: | QUSBIZXLIREHLQ-UHFFFAOYSA-N |