1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0142 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C16 H15 N5 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5547 |
| logD: | 1.0153 |
| logSw: | -2.1452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.904 |
| InChI Key: | AYCPSERFKDTXAU-UHFFFAOYSA-N |