3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8275 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enamide |
| Molecular Weight: | 615.35 |
| Molecular Formula: | C29 H26 Br Cl2 N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(c(c2)[Cl])[Cl])n1)NC(/C=C/c1ccc(c(COc2ccc(cc2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0939 |
| logD: | 7.0938 |
| logSw: | -6.5446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.86 |
| InChI Key: | UHHIGUWSQPVHIC-UHFFFAOYSA-N |