methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0058 |
| Compound Name: | methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 530.4 |
| Molecular Formula: | C23 H20 Br N3 O5 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)[Br])=O)c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7785 |
| logD: | 3.6473 |
| logSw: | -4.0875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.926 |
| InChI Key: | SQAZATCCYKEXJP-UHFFFAOYSA-N |