methyl 5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate--acetic acid (1/1)
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate--acetic acid (1/1)
methyl 5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate--acetic acid (1/1)
Compound characteristics
| Compound ID: | 4296-0612 |
| Compound Name: | methyl 5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate--acetic acid (1/1) |
| Molecular Weight: | 541.58 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Salt: | CH3COOH |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)OC)=O)c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.927 |
| logD: | 2.7958 |
| logSw: | -3.634 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.47 |
| InChI Key: | BGUHVZJHFVQCNC-UHFFFAOYSA-N |