1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one
Chemical Structure Depiction of
1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one
1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one
Compound characteristics
| Compound ID: | 5438-0280 |
| Compound Name: | 1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C21 H27 F3 N2 O3 |
| Smiles: | CC1CCC2C(C1)C(C(F)(F)F)(N(C(COc1cc(C)ccc1C(C)C)=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0156 |
| logD: | 5.0156 |
| logSw: | -4.5097 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.979 |
| InChI Key: | ADWUUUJQYFCWKJ-UHFFFAOYSA-N |