dimethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate
dimethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D585-0206 |
| Compound Name: | dimethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C17 H15 N5 O6 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9355 |
| logD: | 0.3961 |
| logSw: | -2.4079 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.646 |
| InChI Key: | KRDDDQGTFAHUKE-UHFFFAOYSA-N |