N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide
Compound characteristics
| Compound ID: | L150-0188 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}acetamide |
| Molecular Weight: | 327.2 |
| Molecular Formula: | C11 H11 Br N4 O S |
| Smiles: | CC(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6268 |
| logD: | 1.6268 |
| logSw: | -2.1749 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.157 |
| InChI Key: | MCKSQVSYQDLUJO-UHFFFAOYSA-N |