7-(butan-2-yl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one
Chemical Structure Depiction of
7-(butan-2-yl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one
7-(butan-2-yl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one
Compound characteristics
| Compound ID: | S400-0008 |
| Compound Name: | 7-(butan-2-yl)-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one |
| Molecular Weight: | 286.28 |
| Molecular Formula: | C11 H18 N4 O5 |
| Smiles: | CCC(C)N1CC2(CC(C1)(C(NC2)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8782 |
| logD: | 0.8473 |
| logSw: | -1.4608 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.223 |
| InChI Key: | ZAOLTGUXSNIVKL-UHFFFAOYSA-N |