N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide
Compound characteristics
| Compound ID: | L150-0189 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}propanamide |
| Molecular Weight: | 341.23 |
| Molecular Formula: | C12 H13 Br N4 O S |
| Smiles: | CCC(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2771 |
| logD: | 2.2771 |
| logSw: | -2.7713 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.044 |
| InChI Key: | JUYAUTXUFQJSMH-UHFFFAOYSA-N |