N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Chemical Structure Depiction of
N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8946 |
| Compound Name: | N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide |
| Molecular Weight: | 552.85 |
| Molecular Formula: | C27 H23 Br Cl N3 O3 |
| Smiles: | COc1ccc(/C=C/C(Nc2cnn(Cc3ccccc3)c2)=O)cc1COc1ccc(cc1[Br])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.097 |
| logD: | 6.0968 |
| logSw: | -6.2988 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.566 |
| InChI Key: | LLIFXTZYVJUOHJ-UHFFFAOYSA-N |