ethyl 3-amino-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-pyrazole-4-carboxylate
ethyl 3-amino-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-8964 |
| Compound Name: | ethyl 3-amino-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 281.27 |
| Molecular Formula: | C12 H15 N3 O5 |
| Smiles: | CCOC(c1cn([C@H]2CC([C@@H]3OC[C@H]2O3)=O)nc1N)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3422 |
| logD: | -0.3422 |
| logSw: | -0.8112 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.979 |
| InChI Key: | AOFQYLDGNUHVMJ-JWKOBGCHSA-N |