2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y503-1483 |
| Compound Name: | 2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C17 H22 F3 N7 O2 S |
| Smiles: | CC(C)Cn1c(c2cc(C)n(C)n2)nnc1SCC(N1C(CC=N1)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5119 |
| logD: | 1.5118 |
| logSw: | -1.8787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.576 |
| InChI Key: | ZOQKMOCOGMXOQW-INIZCTEOSA-N |