5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1315 |
| Compound Name: | 5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C28 H22 Cl N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)OCC)OCc2ccc(cc2)[Cl])C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0566 |
| logD: | 5.0566 |
| logSw: | -5.6249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.466 |
| InChI Key: | NJVTXSVPEUEKGI-UHFFFAOYSA-N |