N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-[2-(2-chlorophenyl)ethyl]glycinamide
Chemical Structure Depiction of
N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-[2-(2-chlorophenyl)ethyl]glycinamide
N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-[2-(2-chlorophenyl)ethyl]glycinamide
Compound characteristics
Compound ID: | K784-4032 |
Compound Name: | N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-[2-(2-chlorophenyl)ethyl]glycinamide |
Molecular Weight: | 453.01 |
Molecular Formula: | C24 H25 Cl N4 O S |
Smiles: | C(CNC(CNC(N(Cc1ccccc1)Cc1cccnc1)=S)=O)c1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 3.7301 |
logD: | 3.7295 |
logSw: | -4.1059 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 45.581 |
InChI Key: | SMSNWJKOBIEDTE-UHFFFAOYSA-N |