ethyl [6-carbamoyl-2-(4-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-2-(4-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-2-(4-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-1021 |
| Compound Name: | ethyl [6-carbamoyl-2-(4-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 469.86 |
| Molecular Formula: | C22 H17 Cl F N5 O4 |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(cc1)[Cl])n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2136 |
| logD: | 4.2136 |
| logSw: | -4.4815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | UBNWYPMEDDUFDS-UHFFFAOYSA-N |