8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0141 |
| Compound Name: | 8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc2C(NC=Nc2n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8385 |
| logD: | 2.8373 |
| logSw: | -3.44 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.231 |
| InChI Key: | GLEOPLOSSPOPIQ-UHFFFAOYSA-N |