3-benzyl-6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Chemical Structure Depiction of
3-benzyl-6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
3-benzyl-6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Compound characteristics
| Compound ID: | 8010-8869 |
| Compound Name: | 3-benzyl-6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C16 H19 N3 O5 |
| Smiles: | COC1=CCC2(CC1(CN(Cc1ccccc1)C2)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3392 |
| logD: | 2.339 |
| logSw: | -2.4833 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.538 |
| InChI Key: | CUMBTNXFNKTCPF-UHFFFAOYSA-N |