[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}methanone
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | Y503-1529 |
| Compound Name: | [5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}methanone |
| Molecular Weight: | 413.31 |
| Molecular Formula: | C17 H14 F3 N3 O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1ccc(C(N2C(CC=N2)(C(F)(F)F)O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9785 |
| logD: | 2.9785 |
| logSw: | -3.2636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.493 |
| InChI Key: | MZFHHWYWDYEXHK-INIZCTEOSA-N |