9-(3,4-dimethylphenyl)-7-methyl-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(3,4-dimethylphenyl)-7-methyl-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
9-(3,4-dimethylphenyl)-7-methyl-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-1261 |
| Compound Name: | 9-(3,4-dimethylphenyl)-7-methyl-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(N(C)c2c(C(N)=O)nc(c3ccc(cc3)SC)nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1701 |
| logD: | 5.1701 |
| logSw: | -5.0799 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.844 |
| InChI Key: | LODPTNQCPHAJQO-UHFFFAOYSA-N |