2-(3,5-dimethylphenoxy)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethylphenoxy)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
2-(3,5-dimethylphenoxy)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5438-0278 |
| Compound Name: | 2-(3,5-dimethylphenoxy)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one |
| Molecular Weight: | 384.4 |
| Molecular Formula: | C19 H23 F3 N2 O3 |
| Smiles: | CC1CCC2C(C1)C(C(F)(F)F)(N(C(COc1cc(C)cc(C)c1)=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1171 |
| logD: | 4.1171 |
| logSw: | -4.0798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.893 |
| InChI Key: | CGHKVGYQAFNXNA-UHFFFAOYSA-N |