2-(benzylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(benzylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0060 |
| Compound Name: | 2-(benzylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6224 |
| logD: | 3.1845 |
| logSw: | -4.4482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | MWHHWEMENGIVRP-JOCHJYFZSA-N |