N-(3,5-dimethoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-(3,5-dimethoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0330 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0885 |
| logD: | 3.0872 |
| logSw: | -3.447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.411 |
| InChI Key: | JBEQPRMGNLTLQT-UHFFFAOYSA-N |