7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-1628 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(C)C(N3C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1703 |
| logD: | 3.1703 |
| logSw: | -3.0039 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.96 |
| InChI Key: | ZFZAIHKQJBMYLO-UHFFFAOYSA-N |