7-[(4-tert-butylphenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4835 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C28 H34 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOC)C(c2c1ncn2Cc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3594 |
| logD: | 5.3594 |
| logSw: | -5.3375 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.867 |
| InChI Key: | WLQIBBFOUMJING-UHFFFAOYSA-N |