1,1'-[5-(3-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[5-(3-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl]di(ethan-1-one)
1,1'-[5-(3-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | D170-0017 |
| Compound Name: | 1,1'-[5-(3-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C17 H20 N4 O5 |
| Smiles: | CC(N1CC2(CN(C1)CN(C2)C(C)=O)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0393 |
| logD: | 1.0393 |
| logSw: | -2.4072 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.117 |
| InChI Key: | GXGHDDNILGRMSY-UHFFFAOYSA-N |