5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2144-0653 |
| Compound Name: | 5-amino-3-{2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 494.35 |
| Molecular Formula: | C23 H20 Br N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)[Br])OCc2ccccc2)OC)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 3.089 |
| logD: | 3.089 |
| logSw: | -3.2301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.743 |
| InChI Key: | YZCYZDDMFBKEGB-UHFFFAOYSA-N |