methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0321 |
| Compound Name: | methyl 5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C27 H29 N3 O7 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.975 |
| logD: | 2.8438 |
| logSw: | -3.3934 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.576 |
| InChI Key: | DQPGIOZFGMUAJH-UHFFFAOYSA-N |