4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | D585-0196 |
| Compound Name: | 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 345.33 |
| Molecular Formula: | C14 H11 N5 O4 S |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 0.9689 |
| logD: | -1.4263 |
| logSw: | -2.0614 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.404 |
| InChI Key: | PAFLEEYKEKTAAP-UHFFFAOYSA-N |