5-(4-methylphenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-methylphenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-methylphenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0009 |
| Compound Name: | 5-(4-methylphenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.598 |
| logD: | 0.9098 |
| logSw: | -3.0994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.622 |
| InChI Key: | MBVINEBMAKCDED-CQSZACIVSA-N |