5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-2422 |
| Compound Name: | 5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 569.53 |
| Molecular Formula: | C27 H22 Cl2 N4 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cc(cc(c1)[Cl])[Cl])=O)c1cccs1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1441 |
| logD: | 5.3031 |
| logSw: | -6.1293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.392 |
| InChI Key: | ULRPTGSNMOZKFQ-RUZDIDTESA-N |