N-[(4-methylphenyl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0356 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CSc2nc3C(NC=Nc3n2c2ccc(C)cc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0541 |
| logD: | 3.0529 |
| logSw: | -3.3661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.645 |
| InChI Key: | OTBFSZPIOPCOBI-UHFFFAOYSA-N |