N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide
Compound characteristics
Compound ID: | C301-9426 |
Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide |
Molecular Weight: | 400.93 |
Molecular Formula: | C20 H21 Cl N4 O S |
Smiles: | CC(C)(C)C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.646 |
logD: | 4.646 |
logSw: | -4.7282 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.734 |
InChI Key: | XPAKXZCJFJUDDU-UHFFFAOYSA-N |