1-benzyl-3'-(4-methylbenzene-1-sulfonyl)-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-benzyl-3'-(4-methylbenzene-1-sulfonyl)-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-benzyl-3'-(4-methylbenzene-1-sulfonyl)-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: | 8018-2083 |
| Compound Name: | 1-benzyl-3'-(4-methylbenzene-1-sulfonyl)-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: | 589.63 |
| Molecular Formula: | C29 H27 N5 O7 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN2C(C1)C1(Cc3cc(ccc23)[N+]([O-])=O)C(NC(N(Cc2ccccc2)C1=O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1508 |
| logD: | 4.1377 |
| logSw: | -4.2167 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.207 |
| InChI Key: | VAGGUHDHAWCTHH-UHFFFAOYSA-N |