1-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0245 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 330.32 |
| Molecular Formula: | C14 H10 N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4054 |
| logD: | 0.866 |
| logSw: | -2.2787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.209 |
| InChI Key: | OWBSDVCCQHIAGF-UHFFFAOYSA-N |