3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-8874 |
| Compound Name: | 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 365.22 |
| Molecular Formula: | C16 H17 Br N2 O3 |
| Smiles: | CCn1c(C)c(cn1)C(/C=C/c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.609 |
| logD: | 2.5313 |
| logSw: | -2.526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.249 |
| InChI Key: | UVKAJEWPCYRDKH-UHFFFAOYSA-N |