7-benzyl-3-methyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-methyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-methyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-0185 |
| Compound Name: | 7-benzyl-3-methyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1ccc(CN2C(c3c(ncn3Cc3ccccc3)N(C)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1216 |
| logD: | 3.1216 |
| logSw: | -3.0141 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.923 |
| InChI Key: | PQZAJLFOWQAPPJ-UHFFFAOYSA-N |