3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-5531 |
| Compound Name: | 3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C21 H19 F N2 O3 |
| Smiles: | Cn1c(ccn1)C(/C=C/c1ccc(c(COc2ccc(cc2)F)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.631 |
| logD: | 3.631 |
| logSw: | -3.8379 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.722 |
| InChI Key: | AQEQGDRUKWBXKO-UHFFFAOYSA-N |