1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 4607-0238 |
| Compound Name: | 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 370.37 |
| Molecular Formula: | C18 H21 F3 N2 O3 |
| Smiles: | COc1ccc(CC(N2C(C3CCCCCC3=N2)(C(F)(F)F)O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6802 |
| logD: | 3.6802 |
| logSw: | -3.9271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.268 |
| InChI Key: | HMQYLOAPFXMOIZ-UHFFFAOYSA-N |