5-amino-3-(1-cyano-2-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2038-0070 |
| Compound Name: | 5-amino-3-(1-cyano-2-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C28 H23 N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)OC)OCc2ccc(C)cc2)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7396 |
| logD: | 4.7396 |
| logSw: | -4.9789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.887 |
| InChI Key: | XFSBQPAWIXXTSP-UHFFFAOYSA-N |