ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-1037 |
| Compound Name: | ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 471.39 |
| Molecular Formula: | C22 H16 F3 N5 O4 |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1cccc(c1F)F)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0521 |
| logD: | 3.0521 |
| logSw: | -3.3759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | MOLIYVMQTHAUET-UHFFFAOYSA-N |