7-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one
Chemical Structure Depiction of
7-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one
7-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one
Compound characteristics
| Compound ID: | S400-0007 |
| Compound Name: | 7-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one |
| Molecular Weight: | 286.28 |
| Molecular Formula: | C11 H18 N4 O5 |
| Smiles: | CCCCN1CC2(CC(C1)(C(NC2)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9746 |
| logD: | 0.9623 |
| logSw: | -1.4711 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.565 |
| InChI Key: | JTHQPBLPCMFVMY-UHFFFAOYSA-N |