2-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8012-0509 |
| Compound Name: | 2-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 471.46 |
| Molecular Formula: | C19 H20 F3 N5 O4 S |
| Smiles: | CC(C)n1c2C(N(C)C(N(C)c2nc1SCC(Nc1ccc(cc1)OC(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0896 |
| logD: | 4.0896 |
| logSw: | -4.1397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.448 |
| InChI Key: | WBFMIKKTUKSGAT-UHFFFAOYSA-N |