1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0244 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C13 H10 N4 O4 S |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 0.5787 |
| logD: | 0.0392 |
| logSw: | -2.0875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.19 |
| InChI Key: | CEQNINHUMBEBQU-UHFFFAOYSA-N |