1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y501-9493 |
| Compound Name: | 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 535.42 |
| Molecular Formula: | C17 H17 F8 N7 O2 S |
| Smiles: | CCn1c(Cn2c(cc(C(F)F)n2)C(F)F)nnc1SCC(N1C(CC(C(F)F)=N1)(C(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6396 |
| logD: | 0.6394 |
| logSw: | -1.3337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.467 |
| InChI Key: | GTPXEVZDBOIXCI-KRWDZBQOSA-N |