2-(methylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(methylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(methylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0018 |
| Compound Name: | 2-(methylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9736 |
| logD: | 0.2853 |
| logSw: | -2.7455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.6 |
| InChI Key: | XFWCNRHYOUXYFT-OAHLLOKOSA-N |