2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-methylphenyl)acetamide
2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J095-0097 |
| Compound Name: | 2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C15 H15 N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nc2C(NC=Nc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3767 |
| logD: | 1.3762 |
| logSw: | -2.3356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.662 |
| InChI Key: | ZHAOBWFDPQHEGQ-UHFFFAOYSA-N |