4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-0739 |
| Compound Name: | 4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 502.23 |
| Molecular Formula: | C19 H14 F3 I N2 O3 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2)I)O)OC)C(N(c2cccc(c2)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8812 |
| logD: | 4.8011 |
| logSw: | -4.5914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.696 |
| InChI Key: | CKWSCBDCFOMZOD-UHFFFAOYSA-N |