2-(methylsulfanyl)-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(methylsulfanyl)-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(methylsulfanyl)-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0022 |
| Compound Name: | 2-(methylsulfanyl)-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | CSC1NC(C2C(C3=C(CCCC3=O)NC=2N=1)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0169 |
| logD: | -0.6714 |
| logSw: | -1.8762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.05 |
| InChI Key: | XVRMQSDOQVSPLG-GFCCVEGCSA-N |