8,8-dimethyl-2-(methylsulfanyl)-5-(2-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-2-(methylsulfanyl)-5-(2-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-2-(methylsulfanyl)-5-(2-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-5846 |
| Compound Name: | 8,8-dimethyl-2-(methylsulfanyl)-5-(2-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SC)c2ccccc2[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6783 |
| logD: | 0.604 |
| logSw: | -3.1675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.703 |
| InChI Key: | QLPTVHMEVBTYGL-CQSZACIVSA-N |