(3-bromophenyl)[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Chemical Structure Depiction of
(3-bromophenyl)[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
(3-bromophenyl)[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Compound characteristics
| Compound ID: | 5438-0254 |
| Compound Name: | (3-bromophenyl)[3-hydroxy-5-methyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone |
| Molecular Weight: | 405.21 |
| Molecular Formula: | C16 H16 Br F3 N2 O2 |
| Smiles: | CC1CCC2C(C1)C(C(F)(F)F)(N(C(c1cccc(c1)[Br])=O)N=2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3242 |
| logD: | 4.3241 |
| logSw: | -4.3043 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.921 |
| InChI Key: | NDZLOPNPLGWVKM-UHFFFAOYSA-N |