2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0063 |
| Compound Name: | 2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.939 |
| logD: | 1.5011 |
| logSw: | -3.5755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.611 |
| InChI Key: | XVZDNOPWKYPALT-OAQYLSRUSA-N |