3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y503-3978 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H21 Br N2 O3 |
| Smiles: | CCn1c(ccn1)C(/C=C/c1ccc(c(COc2ccc(cc2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8239 |
| logD: | 4.8239 |
| logSw: | -4.6904 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.161 |
| InChI Key: | PLIDPALTLPQGIO-UHFFFAOYSA-N |