5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-1507 |
| Compound Name: | 5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1)OC)=O)c1cccs1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4953 |
| logD: | 3.6542 |
| logSw: | -4.3739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.633 |
| InChI Key: | QIAXTLOSSRRGFR-VWLOTQADSA-N |