N-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0054 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 345.33 |
| Molecular Formula: | C14 H11 N5 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9538 |
| logD: | 0.4143 |
| logSw: | -2.2514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.112 |
| InChI Key: | XXDYYYBDCGMBGJ-UHFFFAOYSA-N |