2-(ethylsulfanyl)-8,8-dimethyl-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
2-(ethylsulfanyl)-8,8-dimethyl-5-(4-nitro-2H-1,3-benzodioxol-5-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(ethylsulfanyl)-8,8-dimethyl-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: | 6279-5886 |
| Compound Name: | 2-(ethylsulfanyl)-8,8-dimethyl-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: | 470.5 |
| Molecular Formula: | C22 H22 N4 O6 S |
| Smiles: | CCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc2c(c1[N+]([O-])=O)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3906 |
| logD: | 1.3162 |
| logSw: | -3.8681 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.201 |
| InChI Key: | LGUMXPIHUVZDCP-CQSZACIVSA-N |