methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-4230 |
| Compound Name: | methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)C1C(C(NC(=C1C#N)SCC(NCc1ccccc1)=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9125 |
| logD: | 2.7813 |
| logSw: | -3.3567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.618 |
| InChI Key: | LDEWPFVSVCWRCG-UHFFFAOYSA-N |