1-methyl-3'-(4-methylbenzene-1-sulfonyl)-8'-nitro-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
Chemical Structure Depiction of
1-methyl-3'-(4-methylbenzene-1-sulfonyl)-8'-nitro-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
1-methyl-3'-(4-methylbenzene-1-sulfonyl)-8'-nitro-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
Compound characteristics
| Compound ID: | 8018-4181 |
| Compound Name: | 1-methyl-3'-(4-methylbenzene-1-sulfonyl)-8'-nitro-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione |
| Molecular Weight: | 529.59 |
| Molecular Formula: | C23 H23 N5 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCN2C(C1)C1(Cc3cc(ccc23)[N+]([O-])=O)C(NC(N(C)C1=O)=S)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6962 |
| logD: | 2.2396 |
| logSw: | -3.2941 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.082 |
| InChI Key: | GAHYAZWJNGCKCR-UHFFFAOYSA-N |