Oprea1_188473
7-[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione
Also Known As: Oprea1_188473|7-(4-chlorobenzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-(4-chlorobenzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethyl-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H21ClN4O3 |
|---|---|
| Molecular Weight | 424.13022 g/mol |
| LogP | 3.54454 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.13022 |
| Monoisotopic Mass | 424.13022 |
| Heavy Atoms | 30 |
| Complexity | 1381.008 |
Chemical Identifiers
| CAS Number | 359693-76-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C)C |
Product Overview
Oprea1_188473 (CAS 359693-76-8), with molecular formula C22H21ClN4O3 and molecular weight 424.13022 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione.
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