8,8-dimethyl-5-(4-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-5-(4-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-5-(4-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0129 |
| Compound Name: | 8,8-dimethyl-5-(4-methylphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3908 |
| logD: | 3.571 |
| logSw: | -5.4365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | ZLYMCYYVTYYNKY-JOCHJYFZSA-N |