5-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0023 |
| Compound Name: | 5-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CSC1NC(C2C(C3=C(CCCC3=O)NC=2N=1)c1ccc(cc1)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.589 |
| logD: | 1.9007 |
| logSw: | -3.9875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.85 |
| InChI Key: | JXFFFUDTDLWZCZ-HXUWFJFHSA-N |