5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0685 |
| Compound Name: | 5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 565.26 |
| Molecular Formula: | C26 H16 Br Cl2 N5 O |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(ccc2OCc2ccc(cc2[Cl])[Cl])[Br])C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8017 |
| logD: | 6.8017 |
| logSw: | -6.7333 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.256 |
| InChI Key: | BETBGUXZXUXUBU-UHFFFAOYSA-N |