5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-7171 |
| Compound Name: | 5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 464.32 |
| Molecular Formula: | C22 H18 Br N5 O2 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc(c1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9998 |
| logD: | 3.9998 |
| logSw: | -4.4441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.869 |
| InChI Key: | FKZOTZMDCJKPRE-UHFFFAOYSA-N |