7-benzyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-0212 |
| Compound Name: | 7-benzyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | CC(C)(C)c1ccc(CN2C(c3c(ncn3Cc3ccccc3)N(C)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4927 |
| logD: | 4.4927 |
| logSw: | -4.3722 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.923 |
| InChI Key: | BPQYPVMGQRWAIS-UHFFFAOYSA-N |