2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | J095-0267 |
| Compound Name: | 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCC(Nc1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6258 |
| logD: | 2.6257 |
| logSw: | -3.01 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.562 |
| InChI Key: | ROVDYHVEMGDUMT-UHFFFAOYSA-N |