5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-7569 |
| Compound Name: | 5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 526.39 |
| Molecular Formula: | C27 H20 Br N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)[Br])OCc2ccccc2)OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2716 |
| logD: | 5.2716 |
| logSw: | -5.4403 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.973 |
| InChI Key: | XIXSMCJVHMKJIF-UHFFFAOYSA-N |