3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Chemical Structure Depiction of
3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Compound characteristics
| Compound ID: | 8013-0934 |
| Compound Name: | 3-ethyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one |
| Molecular Weight: | 373.36 |
| Molecular Formula: | C18 H19 N3 O6 |
| Smiles: | CCN1CC2(C=CC(C(C1)(C2CC(c1ccccc1)=O)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7643 |
| logD: | 1.7641 |
| logSw: | -2.2065 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.454 |
| InChI Key: | QEYYRLFQAWSBIA-UHFFFAOYSA-N |