2-(4-tert-butylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-tert-butylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]ethan-1-one
2-(4-tert-butylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5634-0047 |
| Compound Name: | 2-(4-tert-butylphenoxy)-1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]ethan-1-one |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C21 H27 F3 N2 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)OCC(N1C(C2CCCCCC2=N1)(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1527 |
| logD: | 5.1527 |
| logSw: | -4.7587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.223 |
| InChI Key: | VOWUSRYWUSPFRA-UHFFFAOYSA-N |