5-amino-3-{2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
Compound ID: | 8009-4822 |
Compound Name: | 5-amino-3-{2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
Molecular Weight: | 475.3 |
Molecular Formula: | C22 H15 Br N6 O2 |
Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc(c1OCC#N)[Br] |
Stereo: | ACHIRAL |
logP: | 3.1918 |
logD: | 3.1918 |
logSw: | -3.3928 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.655 |
InChI Key: | DZHYVGPHUIUGSJ-UHFFFAOYSA-N |