3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Chemical Structure Depiction of
3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Compound characteristics
| Compound ID: | 8013-8295 |
| Compound Name: | 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid |
| Molecular Weight: | 417.37 |
| Molecular Formula: | C19 H19 N3 O8 |
| Smiles: | C(CN1CC2(C=CC(C(C1)(C2CC(c1ccccc1)=O)[N+]([O-])=O)=O)[N+]([O-])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2902 |
| logD: | -2.5687 |
| logSw: | -1.6612 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.092 |
| InChI Key: | VYBMUZYWZUECGK-UHFFFAOYSA-N |