2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8012-4749 |
| Compound Name: | 2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 537.49 |
| Molecular Formula: | C23 H19 F4 N5 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(Nc2ccc(cc2)OC(F)(F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3305 |
| logD: | 5.3305 |
| logSw: | -5.2765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.101 |
| InChI Key: | VDZRDUZGHBQIFJ-UHFFFAOYSA-N |