methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1926 |
| Compound Name: | methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 534.81 |
| Molecular Formula: | C22 H17 Br Cl N3 O4 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)[Br])=O)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2243 |
| logD: | 4.1301 |
| logSw: | -4.2597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | KXCYAMYNIMRRQN-UHFFFAOYSA-N |