N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Compound characteristics
Compound ID: | F938-0486 |
Compound Name: | N-{2-[(3-bromo-1-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide |
Molecular Weight: | 369.28 |
Molecular Formula: | C14 H17 Br N4 O S |
Smiles: | CCCC(Nc1ccccc1Sc1nc(nn1CC)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.1647 |
logD: | 3.1647 |
logSw: | -3.254 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.483 |
InChI Key: | GBHDEXLQBFHGSF-UHFFFAOYSA-N |