ethyl {3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | V012-7716 |
| Compound Name: | ethyl {3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 432.86 |
| Molecular Formula: | C20 H21 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(CC1CCCO1)C(N2c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5352 |
| logD: | 1.5352 |
| logSw: | -2.4479 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.359 |
| InChI Key: | ZQMXNVJEZXNNLO-OAHLLOKOSA-N |