6-[(2-amino-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-amino-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-amino-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: | 8009-1462 |
| Compound Name: | 6-[(2-amino-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: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | Cc1ccccc1NC(C1C(C(C#N)=C(NC1(C)O)SCC(N)=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9467 |
| logD: | 1.9466 |
| logSw: | -2.3515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 101.19 |
| InChI Key: | XRUZMSXODHJDKY-UHFFFAOYSA-N |