N-(4-bromo-2-fluorophenyl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y503-3735 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.31 |
| Molecular Formula: | C16 H16 Br F N6 O S |
| Smiles: | Cc1cc(c2nnc(n2C)SCC(Nc2ccc(cc2F)[Br])=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 2.2441 |
| logD: | 2.2358 |
| logSw: | -2.867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.989 |
| InChI Key: | DHKNSXVUGXTOHG-UHFFFAOYSA-N |