8,8-dimethyl-2-(methylsulfanyl)-5-(4-nitro-2H-1,3-benzodioxol-5-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-2-(methylsulfanyl)-5-(4-nitro-2H-1,3-benzodioxol-5-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-2-(methylsulfanyl)-5-(4-nitro-2H-1,3-benzodioxol-5-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-5887 |
| Compound Name: | 8,8-dimethyl-2-(methylsulfanyl)-5-(4-nitro-2H-1,3-benzodioxol-5-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C21 H20 N4 O6 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SC)c2ccc3c(c2[N+]([O-])=O)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9519 |
| logD: | 0.8776 |
| logSw: | -3.5305 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.201 |
| InChI Key: | BLHWVKKJYTWOHT-CYBMUJFWSA-N |