ethyl {6-carbamoyl-2-(4-methylphenyl)-8-oxo-9-[(oxolan-2-yl)methyl]-8,9-dihydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {6-carbamoyl-2-(4-methylphenyl)-8-oxo-9-[(oxolan-2-yl)methyl]-8,9-dihydro-7H-purin-7-yl}acetate
ethyl {6-carbamoyl-2-(4-methylphenyl)-8-oxo-9-[(oxolan-2-yl)methyl]-8,9-dihydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | G656-0450 |
| Compound Name: | ethyl {6-carbamoyl-2-(4-methylphenyl)-8-oxo-9-[(oxolan-2-yl)methyl]-8,9-dihydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C22 H25 N5 O5 |
| Smiles: | CCOC(CN1C(N(CC2CCCO2)c2c1c(C(N)=O)nc(c1ccc(C)cc1)n2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9317 |
| logD: | 2.9317 |
| logSw: | -2.9212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.502 |
| InChI Key: | VVIWMCZUYBSXHB-OAHLLOKOSA-N |