3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-enamide
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8277 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-enamide |
| Molecular Weight: | 470.37 |
| Molecular Formula: | C23 H24 Br N3 O3 |
| Smiles: | Cc1c(CNC(/C=C/c2ccc(c(COc3ccc(cc3)[Br])c2)OC)=O)cnn1C |
| Stereo: | ACHIRAL |
| logP: | 4.265 |
| logD: | 4.2646 |
| logSw: | -4.2964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.783 |
| InChI Key: | LKHBFHAGPLPQJK-UHFFFAOYSA-N |