propan-2-yl 4-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
propan-2-yl 4-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3871-0326 |
| Compound Name: | propan-2-yl 4-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C23 H23 Br N2 O5 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2cc(c(cc2[Br])OC)OC)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2315 |
| logD: | 4.2315 |
| logSw: | -4.3757 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.28 |
| InChI Key: | WTTUYEISBUDZAN-UHFFFAOYSA-N |