N-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide
N-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0149 |
| Compound Name: | N-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C29 H26 Cl N5 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccc(cc1)[Cl])=O)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7213 |
| logD: | 4.0071 |
| logSw: | -5.0162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.623 |
| InChI Key: | YGUJJOWAYXYXGC-HHHXNRCGSA-N |