N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | L150-0165 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2,2-dimethylpropanamide |
| Molecular Weight: | 369.28 |
| Molecular Formula: | C14 H17 Br N4 O S |
| Smiles: | CC(C)(C)C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1883 |
| logD: | 3.1883 |
| logSw: | -3.4357 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.257 |
| InChI Key: | DHTCJZYPOIIRPC-UHFFFAOYSA-N |