5-amino-3-(1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-4819 |
| Compound Name: | 5-amino-3-(1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 516.39 |
| Molecular Formula: | C27 H19 Cl2 N5 O2 |
| Smiles: | COc1cccc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)c1OCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7154 |
| logD: | 5.7154 |
| logSw: | -6.0681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.973 |
| InChI Key: | QFHPCQLGFSXUPR-UHFFFAOYSA-N |