5-amino-3-{2-[2-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[2-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[2-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1213 |
| Compound Name: | 5-amino-3-{2-[2-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C27 H21 N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cccc(c2OCc2ccccc2)OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4911 |
| logD: | 4.4911 |
| logSw: | -4.9801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.973 |
| InChI Key: | BWYAGEKERVFOQB-UHFFFAOYSA-N |