7-ethyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
Chemical Structure Depiction of
7-ethyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
7-ethyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
Compound characteristics
| Compound ID: | 8014-9217 |
| Compound Name: | 7-ethyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C18 H21 N3 O6 |
| Smiles: | CCN1CC2(C3CC(c4ccccc4)OC2CC(C3(C1)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.082 |
| logD: | 2.0773 |
| logSw: | -2.5097 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.968 |
| InChI Key: | SGNDBMZQIUABBA-UHFFFAOYSA-N |