5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0064 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | Cc1ccccc1CSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6223 |
| logD: | 2.8024 |
| logSw: | -4.4752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.611 |
| InChI Key: | KSUPKFPOBBOXNL-HSZRJFAPSA-N |