7-benzyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
7-benzyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
7-benzyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-1065 |
| Compound Name: | 7-benzyl-9-(3,4-dimethylphenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C28 H25 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(N(Cc2ccccc2)c2c(C(N)=O)nc(c3ccc(cc3)SC)nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.01 |
| logD: | 7.01 |
| logSw: | -5.6016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.806 |
| InChI Key: | STJTUDWNLFYQRO-UHFFFAOYSA-N |