N-(4-bromo-2-fluorophenyl)-2-({4-ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-({4-ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-bromo-2-fluorophenyl)-2-({4-ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y503-3734 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-({4-ethyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 453.33 |
| Molecular Formula: | C17 H18 Br F N6 O S |
| Smiles: | CCn1c(Cn2c(C)ccn2)nnc1SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2765 |
| logD: | 2.268 |
| logSw: | -2.852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.728 |
| InChI Key: | LMSGLJJBKVFATA-UHFFFAOYSA-N |