N-(4-bromo-2-fluorophenyl)-2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-bromo-2-fluorophenyl)-2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y500-8622 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 495.37 |
| Molecular Formula: | C19 H20 Br F N6 O2 S |
| Smiles: | Cn1ccc(c2nnc(n2CC2CCCO2)SCC(Nc2ccc(cc2F)[Br])=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2946 |
| logD: | 2.2863 |
| logSw: | -2.9155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.767 |
| InChI Key: | VKNXDCVYFPGNIZ-CYBMUJFWSA-N |