4-{[2-(4-bromo-1H-pyrazol-1-yl)ethyl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[2-(4-bromo-1H-pyrazol-1-yl)ethyl]amino}-4-oxobut-2-enoic acid
4-{[2-(4-bromo-1H-pyrazol-1-yl)ethyl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y504-9258 |
| Compound Name: | 4-{[2-(4-bromo-1H-pyrazol-1-yl)ethyl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 288.1 |
| Molecular Formula: | C9 H10 Br N3 O3 |
| Smiles: | C(Cn1cc(cn1)[Br])NC(\C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5653 |
| logD: | -3.4798 |
| logSw: | -1.1973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.691 |
| InChI Key: | HSNZNCFXJMXZMK-UHFFFAOYSA-N |