N-[(2,3-dimethoxyphenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0059 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C16 H17 N5 O4 S |
| Smiles: | COc1cccc(CNC(CSc2nc(c3c(n2)[nH]cn3)O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9429 |
| logD: | 0.4035 |
| logSw: | -2.0828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.666 |
| InChI Key: | KGFRHKANPPABRZ-UHFFFAOYSA-N |