methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-5693 |
| Compound Name: | methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C23 H20 Cl N3 O4 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(NCc1ccccc1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0838 |
| logD: | 2.9526 |
| logSw: | -3.806 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.618 |
| InChI Key: | QYHHXZOIIQZJBT-UHFFFAOYSA-N |