AC1LL2LQ
8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: Oprea1_005979|BAS 05021941|8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione|8-(1,3-benzodioxol-5-ylmethoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|8-[(2H-1,3-BENZODIOXOL-5-YL)METHOXY]-1-[(4-FLUOROPHENYL)METHYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H19FN4O5 |
|---|---|
| Molecular Weight | 438.13394 g/mol |
| LogP | 1.9288 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.13394 |
| Monoisotopic Mass | 438.13394 |
| Heavy Atoms | 32 |
| Complexity | 1452.6858 |
Chemical Identifiers
| CAS Number | 370075-40-4 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C |
Product Overview
AC1LL2LQ (CAS 370075-40-4), with molecular formula C22H19FN4O5 and molecular weight 438.13394 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
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