5-amino-3-(2-{2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0080 |
| Compound Name: | 5-amino-3-(2-{2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 595.28 |
| Molecular Formula: | C27 H18 Br Cl2 N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(cc2[Br])OCc2ccc(cc2[Cl])[Cl])OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6906 |
| logD: | 5.6906 |
| logSw: | -6.0576 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.887 |
| InChI Key: | VECCMXGGXCDTAM-UHFFFAOYSA-N |