3-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
3-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y509-5694 |
| Compound Name: | 3-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C23 H23 Br N2 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cc(/C=C/C(c3ccc(cc3)OC)=O)ccc2OC)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5754 |
| logD: | 4.5754 |
| logSw: | -4.5373 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.67 |
| InChI Key: | XRTHYPKKIFPRKZ-UHFFFAOYSA-N |