3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8932 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide |
| Molecular Weight: | 580.91 |
| Molecular Formula: | C29 H27 Br Cl N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2[Cl])n1)NC(/C=C/c1ccc(c(COc2ccc(cc2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.433 |
| logD: | 6.4329 |
| logSw: | -6.2289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.86 |
| InChI Key: | WRCGKOJOOOEXNO-UHFFFAOYSA-N |