1-(4-{2-[(6-amino-9H-purin-8-yl)sulfanyl]ethoxy}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{2-[(6-amino-9H-purin-8-yl)sulfanyl]ethoxy}phenyl)ethan-1-one
1-(4-{2-[(6-amino-9H-purin-8-yl)sulfanyl]ethoxy}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | D058-0269 |
| Compound Name: | 1-(4-{2-[(6-amino-9H-purin-8-yl)sulfanyl]ethoxy}phenyl)ethan-1-one |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C15 H15 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)OCCSc1nc2c(N)ncnc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2902 |
| logD: | 1.1084 |
| logSw: | -2.2466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.828 |
| InChI Key: | RQMJJWLDLORNSY-UHFFFAOYSA-N |