5-amino-3-(2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-6644 |
| Compound Name: | 5-amino-3-(2-{3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 563.24 |
| Molecular Formula: | C23 H18 Br Cl2 N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)[Br])OCc2ccc(cc2[Cl])[Cl])OC)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 4.3134 |
| logD: | 4.3134 |
| logSw: | -4.5175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.743 |
| InChI Key: | HKAFRWWMXCFRHU-UHFFFAOYSA-N |