1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-methoxyphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-methoxyphenoxy)ethan-1-one
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D644-0001 |
| Compound Name: | 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 372.34 |
| Molecular Formula: | C17 H19 F3 N2 O4 |
| Smiles: | COc1ccc(cc1)OCC(N1C(C2CCCCC2=N1)(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8447 |
| logD: | 2.8441 |
| logSw: | -3.1681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.436 |
| InChI Key: | SOIAXOUTRDUZBI-UHFFFAOYSA-N |