3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]prop-2-enamide
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8934 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]prop-2-enamide |
| Molecular Weight: | 456.34 |
| Molecular Formula: | C22 H22 Br N3 O3 |
| Smiles: | Cn1cc(CNC(/C=C/c2ccc(c(COc3ccc(cc3)[Br])c2)OC)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8685 |
| logD: | 3.8679 |
| logSw: | -3.9296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.105 |
| InChI Key: | GMQWYGXUKNQUOQ-UHFFFAOYSA-N |