3-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
3-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y503-3987 |
| Compound Name: | 3-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C21 H19 Br N2 O4 |
| Smiles: | COc1ccc(/C=C/C(c2ccc(c(c2)OC)O)=O)cc1Cn1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6847 |
| logD: | 3.1879 |
| logSw: | -3.5953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.528 |
| InChI Key: | HGBGZJTYHJBYAU-UHFFFAOYSA-N |