N-(1H-benzimidazol-2-yl)-N~2~-(3-chloro-4-fluorobenzoyl)isoleucinamide
Chemical Structure Depiction of
N-(1H-benzimidazol-2-yl)-N~2~-(3-chloro-4-fluorobenzoyl)isoleucinamide
N-(1H-benzimidazol-2-yl)-N~2~-(3-chloro-4-fluorobenzoyl)isoleucinamide
Compound characteristics
Compound ID: | L879-0215 |
Compound Name: | N-(1H-benzimidazol-2-yl)-N~2~-(3-chloro-4-fluorobenzoyl)isoleucinamide |
Molecular Weight: | 402.85 |
Molecular Formula: | C20 H20 Cl F N4 O2 |
Smiles: | CCC(C)C(C(Nc1nc2ccccc2[nH]1)=O)NC(c1ccc(c(c1)[Cl])F)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.0081 |
logD: | 4.0079 |
logSw: | -4.547 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 67.792 |
InChI Key: | XXDMGNJPKSXZDW-UHFFFAOYSA-N |