1,3'-dibenzyl-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
1,3'-dibenzyl-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
1,3'-dibenzyl-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: | 8017-7652 |
| Compound Name: | 1,3'-dibenzyl-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: | 525.56 |
| Molecular Formula: | C29 H27 N5 O5 |
| Smiles: | C1c2cc(ccc2N2CCN(CC2C12C(NC(N(Cc1ccccc1)C2=O)=O)=O)Cc1ccccc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0348 |
| logD: | 2.4223 |
| logSw: | -4.1881 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.229 |
| InChI Key: | PMHUSQCCAAKWHS-UHFFFAOYSA-N |