1-[3-hydroxy-7-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-7-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-7-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: | 6237-0183 |
| Compound Name: | 1-[3-hydroxy-7-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: | CC(C)c1ccc(C)cc1OCC(N1C(C2CCCC(C)C2=N1)(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9896 |
| logD: | 4.9857 |
| logSw: | -4.5243 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.176 |
| InChI Key: | RTQARWZCOFVKLT-UHFFFAOYSA-N |