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 |