N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0053 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C15 H13 N5 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7151 |
| logD: | 0.1756 |
| logSw: | -2.2119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.434 |
| InChI Key: | YZKNCHJEGTZYQZ-UHFFFAOYSA-N |