2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J095-0317 |
| Compound Name: | 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C15 H14 F N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4185 |
| logD: | 1.4183 |
| logSw: | -2.3206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.864 |
| InChI Key: | YQKSOCRFJKVFGR-UHFFFAOYSA-N |