N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide
Compound characteristics
| Compound ID: | L150-0187 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}butanamide |
| Molecular Weight: | 355.25 |
| Molecular Formula: | C13 H15 Br N4 O S |
| Smiles: | CCCC(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7543 |
| logD: | 2.7543 |
| logSw: | -3.1654 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.044 |
| InChI Key: | UQFNJTWCGNWMFH-UHFFFAOYSA-N |