N-(2-ethyl-6-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2-ethyl-6-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0082 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CSc1nc2C(NC=Nc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.622 |
| logD: | 1.6215 |
| logSw: | -2.4009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.266 |
| InChI Key: | ULGSYLSRXGDBDV-UHFFFAOYSA-N |