2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | Y503-1433 |
| Compound Name: | 2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 390.43 |
| Molecular Formula: | C15 H21 F3 N6 O S |
| Smiles: | CCn1c(c2cc(C(F)(F)F)n(C)n2)nnc1SCC(NCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1254 |
| logD: | 2.1249 |
| logSw: | -2.5279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.224 |
| InChI Key: | UTUCGUSYCJBCNU-UHFFFAOYSA-N |