AC1LP8WD

8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione

Also Known As: Oprea1_229213|NCGC00309176-01|AB01305436-01|SR-01000283436-1|8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(2-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione|8-(benzo[1,3]dioxol-5-ylmethylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione|8-{[(2H-1,3-BENZODIOXOL-5-YL)METHYL]AMINO}-1-[(2-FLUOROPHENYL)METHYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

Molecular Formula	C22H20FN5O4
Molecular Weight	437.14993 g/mol
LogP	1.9619
Topological Polar Surface Area	92.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	437.14993
Monoisotopic Mass	437.14993
Heavy Atoms	32
Complexity	1469.9358

Chemical Identifiers

CAS Number	369607-22-7
SMILES	CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5F)C