3-{5-[(3,5-dimethylphenoxy)methyl]furan-2-yl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-{5-[(3,5-dimethylphenoxy)methyl]furan-2-yl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
3-{5-[(3,5-dimethylphenoxy)methyl]furan-2-yl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4239 |
| Compound Name: | 3-{5-[(3,5-dimethylphenoxy)methyl]furan-2-yl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | Cc1cc(C)cc(c1)OCc1ccc(/C=C/C(c2cn(C)nc2C)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0705 |
| logD: | 4.0705 |
| logSw: | -4.1428 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.615 |
| InChI Key: | PNTPRLSJEJWVHZ-UHFFFAOYSA-N |