5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0735 |
| Compound Name: | 5-amino-3-(2-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 533.21 |
| Molecular Formula: | C22 H16 Br Cl2 N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(ccc2OCc2ccc(cc2[Cl])[Cl])[Br])C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 4.6191 |
| logD: | 4.6191 |
| logSw: | -4.71 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.025 |
| InChI Key: | MXYRLOJMLAOELD-UHFFFAOYSA-N |