N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8276 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide |
| Molecular Weight: | 546.46 |
| Molecular Formula: | C29 H28 Br N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(/C=C/c1ccc(c(COc2ccc(cc2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7768 |
| logD: | 5.7767 |
| logSw: | -5.541 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.86 |
| InChI Key: | SQQPQDDVLCCPJY-UHFFFAOYSA-N |