1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-nitrophenyl)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-nitrophenyl)ethan-1-one
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-3675 |
| Compound Name: | 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 385.34 |
| Molecular Formula: | C17 H18 F3 N3 O4 |
| Smiles: | C1CCC2C(CC1)=NN(C(Cc1ccc(cc1)[N+]([O-])=O)=O)C2(C(F)(F)F)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6235 |
| logD: | 3.6235 |
| logSw: | -3.7186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.106 |
| InChI Key: | QYZFHWDKCCIZQU-UHFFFAOYSA-N |