9-(4-fluorophenyl)-8-oxo-2-{2-[(propan-2-yl)oxy]phenyl}-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(4-fluorophenyl)-8-oxo-2-{2-[(propan-2-yl)oxy]phenyl}-8,9-dihydro-7H-purine-6-carboxamide
9-(4-fluorophenyl)-8-oxo-2-{2-[(propan-2-yl)oxy]phenyl}-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0848 |
| Compound Name: | 9-(4-fluorophenyl)-8-oxo-2-{2-[(propan-2-yl)oxy]phenyl}-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 407.4 |
| Molecular Formula: | C21 H18 F N5 O3 |
| Smiles: | [H]N1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccccc1OC(C)C)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7157 |
| logD: | 2.6782 |
| logSw: | -3.5592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.5 |
| InChI Key: | HCUBBUMROZFPGT-UHFFFAOYSA-N |