N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0228 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C17 H19 N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSc2nc(c3c(n2)[nH]cn3)O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.0938 |
| logD: | -0.4457 |
| logSw: | -2.1926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.421 |
| InChI Key: | HJWBYBRNXWZMFS-UHFFFAOYSA-N |