dimethyl 5-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | D585-0596 |
| Compound Name: | dimethyl 5-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C17 H15 N5 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6095 |
| logD: | 1.0701 |
| logSw: | -2.268 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.344 |
| InChI Key: | PXKXPRKCUHFUGX-UHFFFAOYSA-N |