3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8279 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide |
| Molecular Weight: | 587.3 |
| Molecular Formula: | C27 H22 Br Cl2 N3 O3 |
| Smiles: | COc1ccc(/C=C/C(Nc2cnn(Cc3c(cccc3[Cl])[Cl])c2)=O)cc1COc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.9235 |
| logD: | 6.9233 |
| logSw: | -6.546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.48 |
| InChI Key: | WDYUNVIKEFYBHD-UHFFFAOYSA-N |