N-(2,4-dimethylphenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide
N-(2,4-dimethylphenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G754-0479 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2C(NC=Nc2n1CC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.795 |
| logD: | 1.7944 |
| logSw: | -2.5531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.536 |
| InChI Key: | RQSCEDKFGKHBRE-CQSZACIVSA-N |