N-(1-benzyl-1H-pyrazol-3-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-(1-benzyl-1H-pyrazol-3-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enamide
N-(1-benzyl-1H-pyrazol-3-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y501-8407 |
| Compound Name: | N-(1-benzyl-1H-pyrazol-3-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C20 H18 Br N3 O2 |
| Smiles: | COc1ccc(/C=C/C(Nc2ccn(Cc3ccccc3)n2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1616 |
| logD: | 4.1606 |
| logSw: | -4.3252 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.702 |
| InChI Key: | IVPGIWSQLLLWOY-UHFFFAOYSA-N |