5-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0107 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Smiles: | Cc1ccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2ccc(c(c2)OC)OC)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9108 |
| logD: | 3.091 |
| logSw: | -4.7284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.611 |
| InChI Key: | OWWPQBFKBXNUOQ-XMMPIXPASA-N |