1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y501-7412 |
| Compound Name: | 1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 538.57 |
| Molecular Formula: | C29 H29 F3 N4 O3 |
| Smiles: | Cc1cc(C(F)(F)F)nn1CC(N1C(C2CCC/C(=C\c3ccc(cc3)OC)C2=N1)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7191 |
| logD: | 5.7191 |
| logSw: | -5.3515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.31 |
| InChI Key: | FDRUPKQLTHUXBZ-UHFFFAOYSA-N |