ethyl {6-carbamoyl-9-(4-fluorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {6-carbamoyl-9-(4-fluorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purin-7-yl}acetate
ethyl {6-carbamoyl-9-(4-fluorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | G656-1040 |
| Compound Name: | ethyl {6-carbamoyl-9-(4-fluorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C25 H24 F N5 O4 |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(cc1)C(C)C)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9571 |
| logD: | 4.9571 |
| logSw: | -4.6607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | WKBYWBCWIBAESG-UHFFFAOYSA-N |