ethyl {2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | V024-1426 |
| Compound Name: | ethyl {2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C26 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(CCOc1ccccc1)C(N2c1ccc(cc1)C(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9163 |
| logD: | 3.9163 |
| logSw: | -3.7613 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.101 |
| InChI Key: | PSYVBNICWWTKAS-UHFFFAOYSA-N |