N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide
Chemical Structure Depiction of
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide
Compound characteristics
Compound ID: | Y031-1380 |
Compound Name: | N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide |
Molecular Weight: | 391.3 |
Molecular Formula: | C20 H20 Cl2 N2 O2 |
Smiles: | CCOCCC(Nc1cc(c(cc1C)C(C#N)c1ccc(cc1)[Cl])[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5174 |
logD: | 4.5172 |
logSw: | -4.7241 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.452 |
InChI Key: | KBWCODMSLSTRNF-KRWDZBQOSA-N |