(2-bromophenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Chemical Structure Depiction of
(2-bromophenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
(2-bromophenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Compound characteristics
| Compound ID: | 4607-0228 |
| Compound Name: | (2-bromophenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone |
| Molecular Weight: | 405.21 |
| Molecular Formula: | C16 H16 Br F3 N2 O2 |
| Smiles: | C1CCC2C(CC1)=NN(C(c1ccccc1[Br])=O)C2(C(F)(F)F)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9847 |
| logD: | 3.9847 |
| logSw: | -4.1275 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.252 |
| InChI Key: | BHDRDDIGQNNDHO-UHFFFAOYSA-N |