N-(3-acetylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0055 |
| Compound Name: | N-(3-acetylphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C15 H13 N5 O3 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8616 |
| logD: | 0.3221 |
| logSw: | -2.1438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.823 |
| InChI Key: | OWWIQRJZBMMQQT-UHFFFAOYSA-N |