3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enamide
3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8340 |
| Compound Name: | 3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 504.81 |
| Molecular Formula: | C23 H23 Br Cl N3 O3 |
| Smiles: | Cc1c(c(C)n(C)n1)NC(/C=C/c1ccc(c(COc2ccc(cc2[Br])[Cl])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4626 |
| logD: | 4.4623 |
| logSw: | -4.8337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.505 |
| InChI Key: | YXDWLYAHXWHFOK-UHFFFAOYSA-N |