N-(2-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-(2-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0429 |
| Compound Name: | N-(2-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7443 |
| logD: | 2.743 |
| logSw: | -3.1396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.626 |
| InChI Key: | UXUBRDYYFLTCOI-UHFFFAOYSA-N |