N-(2-ethylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-(2-ethylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0329 |
| Compound Name: | N-(2-ethylphenyl)-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: | CCc1ccccc1NC(CSc1nc2C(NC=Nc2n1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.449 |
| logD: | 3.4477 |
| logSw: | -3.6289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.626 |
| InChI Key: | JBMKWMCVEFIMKX-UHFFFAOYSA-N |