2-(4-bromophenoxy)-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-bromophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
2-(4-bromophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | D644-0015 |
| Compound Name: | 2-(4-bromophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one |
| Molecular Weight: | 421.21 |
| Molecular Formula: | C16 H16 Br F3 N2 O3 |
| Smiles: | C1CCC2C(C1)C(C(F)(F)F)(N(C(COc1ccc(cc1)[Br])=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6962 |
| logD: | 3.6956 |
| logSw: | -3.8869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.893 |
| InChI Key: | SPULSCVQQSOICN-UHFFFAOYSA-N |