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
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
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: | 8018-0710 |
| Compound Name: | 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: | 515.57 |
| Molecular Formula: | C22 H21 N5 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCN2C(C1)C1(Cc3cc(ccc23)[N+]([O-])=O)C(NC(NC1=O)=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1934 |
| logD: | 2.278 |
| logSw: | -3.5878 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.831 |
| InChI Key: | YQEQYEUWILXYLG-SFHVURJKSA-N |