2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | J095-0254 |
| Compound Name: | 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nc2C(NC(C)=Nc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.569 |
| logD: | 2.5689 |
| logSw: | -2.9175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.562 |
| InChI Key: | JDHRZPUFFSIRFR-UHFFFAOYSA-N |