4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-9107 |
| Compound Name: | 4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C21 H21 Br N2 O3 |
| Smiles: | CCOc1cc(c(/C=C2/C(C)=NN(C2=O)c2cccc(C)c2)cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1848 |
| logD: | 4.1848 |
| logSw: | -4.3374 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.428 |
| InChI Key: | NEUYHKKFDLISDR-UHFFFAOYSA-N |