2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-1417 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 476.31 |
| Molecular Formula: | C21 H21 I N2 O3 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccc(C)c(C)c2)cc(c1O)I |
| Stereo: | ACHIRAL |
| logP: | 5.8626 |
| logD: | 5.8188 |
| logSw: | -5.2837 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.276 |
| InChI Key: | DGEODXYQPQEHPB-UHFFFAOYSA-N |