3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8947 |
| Compound Name: | 3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 518.84 |
| Molecular Formula: | C24 H25 Br Cl N3 O3 |
| Smiles: | CCn1c(C)c(c(C)n1)NC(/C=C/c1ccc(c(COc2ccc(cc2[Br])[Cl])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0014 |
| logD: | 5.001 |
| logSw: | -5.2912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.943 |
| InChI Key: | NKBDFSVKRZWAFL-UHFFFAOYSA-N |