(3,4-dimethoxyphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
(3,4-dimethoxyphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Compound characteristics
| Compound ID: | 5437-0093 |
| Compound Name: | (3,4-dimethoxyphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone |
| Molecular Weight: | 386.37 |
| Molecular Formula: | C18 H21 F3 N2 O4 |
| Smiles: | COc1ccc(cc1OC)C(N1C(C2CCCCCC2=N1)(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2237 |
| logD: | 3.2237 |
| logSw: | -3.2946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.513 |
| InChI Key: | IBCOQCAXKSDFOJ-UHFFFAOYSA-N |