N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | G663-1400 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)acetamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | [H]C1CCc2c(C1)cc1C(N(CC(NCc3ccc(cc3)SC)=O)C=Nc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.18 |
| logD: | 3.1787 |
| logSw: | -3.4093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.423 |
| InChI Key: | HROFHHKSJGFWDR-UHFFFAOYSA-N |