ethyl [6-carbamoyl-2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-1029 |
| Compound Name: | ethyl [6-carbamoyl-2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C24 H22 F N5 O4 |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc(C)c(C)c1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6031 |
| logD: | 4.6031 |
| logSw: | -4.436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | WSKMSCPGIZPXCU-UHFFFAOYSA-N |