2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D585-0240 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | COc1ccc(cc1)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2303 |
| logD: | 0.6908 |
| logSw: | -2.0805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.638 |
| InChI Key: | AEHJCCFSGVLWBV-UHFFFAOYSA-N |