6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxamide
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8009-1457 |
| Compound Name: | 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxamide |
| Molecular Weight: | 597.55 |
| Molecular Formula: | C27 H25 Br N4 O3 S2 |
| Smiles: | Cc1ccccc1NC(C1C(C(C#N)=C(NC1(C)O)SCC(Nc1ccc(cc1)[Br])=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9417 |
| logD: | 4.9416 |
| logSw: | -4.3848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.68 |
| InChI Key: | CPEBAGRSKQNSTI-UHFFFAOYSA-N |