2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G754-0354 |
| Compound Name: | 2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4054 |
| logD: | 2.4042 |
| logSw: | -2.7346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.487 |
| InChI Key: | LPPJVSRCWOWQRD-UHFFFAOYSA-N |