3'-benzoyl-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione
Chemical Structure Depiction of
3'-benzoyl-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione
3'-benzoyl-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione
Compound characteristics
| Compound ID: | 8017-5481 |
| Compound Name: | 3'-benzoyl-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C22 H19 N5 O6 |
| Smiles: | C1c2cc(ccc2N2CCN(CC2C12C(NC(NC2=O)=O)=O)C(c1ccccc1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3832 |
| logD: | 1.1844 |
| logSw: | -2.3967 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.785 |
| InChI Key: | CFZUBUQZSDXGJP-QGZVFWFLSA-N |