5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-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-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
Compound ID: | 8011-7428 |
Compound Name: | 5-cyano-6-{[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide |
Molecular Weight: | 563.51 |
Molecular Formula: | C29 H24 Cl2 N4 O2 S |
Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cc(cc(c1)[Cl])[Cl])=O)c1ccccc1)C(Nc1ccccc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4432 |
logD: | 5.729 |
logSw: | -6.2752 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 72.373 |
InChI Key: | SKBJEMLULWWIIA-MHZLTWQESA-N |