2-(4-chloro-2-methylphenoxy)-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-2-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
2-(4-chloro-2-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | D644-0013 |
| Compound Name: | 2-(4-chloro-2-methylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one |
| Molecular Weight: | 390.79 |
| Molecular Formula: | C17 H18 Cl F3 N2 O3 |
| Smiles: | Cc1cc(ccc1OCC(N1C(C2CCCCC2=N1)(C(F)(F)F)O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.365 |
| logD: | 4.3644 |
| logSw: | -4.3669 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.979 |
| InChI Key: | CQHICGLQDZKYRI-UHFFFAOYSA-N |