5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8013-1860 |
| Compound Name: | 5-amino-3-(1-cyano-2-{4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 495.51 |
| Molecular Formula: | C28 H22 F N5 O3 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc(c1OCc1ccc(cc1)F)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4797 |
| logD: | 4.4797 |
| logSw: | -4.8479 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.604 |
| InChI Key: | OAYXSGSCZLKWGH-UHFFFAOYSA-N |