3-benzyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Chemical Structure Depiction of
3-benzyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
3-benzyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Compound characteristics
| Compound ID: | 8013-5094 |
| Compound Name: | 3-benzyl-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H21 N3 O6 |
| Smiles: | C(C1C2(CN(Cc3ccccc3)CC1(C(C=C2)=O)[N+]([O-])=O)[N+]([O-])=O)C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8686 |
| logD: | 2.8686 |
| logSw: | -3.3078 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.458 |
| InChI Key: | QRVOIJURZDHSOJ-UHFFFAOYSA-N |