5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0933 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 503.48 |
| Molecular Formula: | C27 H17 N7 O4 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)OC)Oc2ccc(cc2C#N)[N+]([O-])=O)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.189 |
| logD: | 4.189 |
| logSw: | -4.8251 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.931 |
| InChI Key: | AUVVVXOUEKDYST-UHFFFAOYSA-N |