2-(4-chloro-3,5-dimethylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-3,5-dimethylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
2-(4-chloro-3,5-dimethylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | D644-0003 |
| Compound Name: | 2-(4-chloro-3,5-dimethylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one |
| Molecular Weight: | 404.81 |
| Molecular Formula: | C18 H20 Cl F3 N2 O3 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC(N1C(C2CCCCC2=N1)(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4932 |
| logD: | 4.4926 |
| logSw: | -4.2698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.893 |
| InChI Key: | BJXKGEGKVRNNCW-UHFFFAOYSA-N |