2-(benzylsulfanyl)-5-[4-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-[4-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(benzylsulfanyl)-5-[4-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0062 |
| Compound Name: | 2-(benzylsulfanyl)-5-[4-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0947 |
| logD: | 2.6568 |
| logSw: | -4.1752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.087 |
| InChI Key: | QLBRYIJFNJYPHL-HSZRJFAPSA-N |