1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | 4607-0239 |
| Compound Name: | 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C18 H21 F3 N2 O2 |
| Smiles: | C1CCC2C(CC1)=NN(C(CCc1ccccc1)=O)C2(C(F)(F)F)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1314 |
| logD: | 4.1313 |
| logSw: | -4.1562 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.724 |
| InChI Key: | TTYKGTPDJOFZML-UHFFFAOYSA-N |