8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0318 |
| Compound Name: | 8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3834 |
| logD: | 3.3822 |
| logSw: | -3.7949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.231 |
| InChI Key: | DFLVMUQOXCEBDN-UHFFFAOYSA-N |