3-butyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Chemical Structure Depiction of
3-butyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
3-butyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Compound characteristics
| Compound ID: | 8013-5095 |
| Compound Name: | 3-butyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C20 H23 N3 O6 |
| Smiles: | CCCCN1CC2(C=CC(C(C1)(C2CC(c1ccccc1)=O)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7135 |
| logD: | 2.7133 |
| logSw: | -2.9304 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.708 |
| InChI Key: | NANYFGLPVQNYSC-UHFFFAOYSA-N |