AC1MWXAB
7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione
Also Known As: Oprea1_678408|7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione|7-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethyl-phenoxy)-1,3-dimethyl-purine-2,6-dione|7-[(4-BROMOPHENYL)METHYL]-8-(4-CHLORO-3,5-DIMETHYLPHENOXY)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H20BrClN4O3 |
|---|---|
| Molecular Weight | 502.04074 g/mol |
| LogP | 4.30704 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.04074 |
| Monoisotopic Mass | 502.04074 |
| Heavy Atoms | 31 |
| Complexity | 1411.6415 |
Chemical Identifiers
| CAS Number | 317841-53-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C |
Product Overview
AC1MWXAB (CAS 317841-53-5), with molecular formula C22H20BrClN4O3 and molecular weight 502.04074 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione.
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