methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0654 |
| Compound Name: | methyl 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.932 |
| logD: | 3.8008 |
| logSw: | -4.01 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.926 |
| InChI Key: | VLGCNIUJRVEJBD-UHFFFAOYSA-N |