2-(4-chloro-3-methylphenoxy)-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-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
2-(4-chloro-3-methylphenoxy)-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: | 5438-0284 |
| Compound Name: | 2-(4-chloro-3-methylphenoxy)-1-[3-hydroxy-5-methyl-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: | CC1CCC2C(C1)C(C(F)(F)F)(N(C(COc1ccc(c(C)c1)[Cl])=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5134 |
| logD: | 4.5133 |
| logSw: | -4.2316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.893 |
| InChI Key: | IYLMBOOJSAQWPN-UHFFFAOYSA-N |