4-{(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-4-oxobutanoic acid
4-{(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 0833-0468 |
| Compound Name: | 4-{(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-4-oxobutanoic acid |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C24 H22 F2 N2 O3 |
| Smiles: | C1CC2C(c3ccc(cc3)F)N(C(CCC(O)=O)=O)N=C2C(\C1)=C\c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4744 |
| logD: | 1.525 |
| logSw: | -4.4518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.677 |
| InChI Key: | UIZUUVXQIBFHTF-SAPNQHFASA-N |