3'-(4-methylbenzene-1-sulfonyl)-8'-nitro-1-phenyl-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'-(4-methylbenzene-1-sulfonyl)-8'-nitro-1-phenyl-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'-(4-methylbenzene-1-sulfonyl)-8'-nitro-1-phenyl-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: | 8018-2084 |
| Compound Name: | 3'-(4-methylbenzene-1-sulfonyl)-8'-nitro-1-phenyl-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: | 575.6 |
| Molecular Formula: | C28 H25 N5 O7 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN2C(C1)C1(Cc3cc(ccc23)[N+]([O-])=O)C(NC(N(C1=O)c1ccccc1)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4444 |
| logD: | 3.2999 |
| logSw: | -3.9224 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.596 |
| InChI Key: | FHFLGAJQDLTCKB-UHFFFAOYSA-N |