[3-(4-bromophenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Chemical Structure Depiction of
[3-(4-bromophenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
[3-(4-bromophenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Compound characteristics
| Compound ID: | D644-0044 |
| Compound Name: | [3-(4-bromophenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone |
| Molecular Weight: | 457.25 |
| Molecular Formula: | C18 H16 Br F3 N4 O2 |
| Smiles: | C1CCC2C(C1)C(C(F)(F)F)(N(C(c1cc(c3ccc(cc3)[Br])n[nH]1)=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7221 |
| logD: | 4.7218 |
| logSw: | -4.6196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.411 |
| InChI Key: | CUYKRYURWMVWSV-UHFFFAOYSA-N |