6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0258 |
| Compound Name: | 6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 572.75 |
| Molecular Formula: | C31 H32 N4 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccccc1C)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.046 |
| logD: | 5.2049 |
| logSw: | -5.3221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.809 |
| InChI Key: | UVONIVQZBVBQJC-LJAQVGFWSA-N |