3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide
Chemical Structure Depiction of
3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide
3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8341 |
| Compound Name: | 3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}prop-2-enamide |
| Molecular Weight: | 621.74 |
| Molecular Formula: | C27 H21 Br Cl3 N3 O3 |
| Smiles: | COc1ccc(/C=C/C(Nc2cnn(Cc3ccc(c(c3)[Cl])[Cl])c2)=O)cc1COc1ccc(cc1[Br])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.4141 |
| logD: | 7.4139 |
| logSw: | -6.6307 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.566 |
| InChI Key: | TYSRDMKZDBZRRU-UHFFFAOYSA-N |