N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Compound characteristics
Compound ID: | C301-9437 |
Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide |
Molecular Weight: | 386.9 |
Molecular Formula: | C19 H19 Cl N4 O S |
Smiles: | CCCC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.2119 |
logD: | 4.2119 |
logSw: | -4.3789 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.52 |
InChI Key: | KBTFBAFVPFMOMT-UHFFFAOYSA-N |