AC1NFBIG

8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione

Also Known As: Oprea1_641554|1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine|8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione|8-(Benzo[1,3]dioxol-5-ylmethoxy)-1-(3,4-dichloro-benzyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione|8-(1,3-benzodioxol-5-ylmethoxy)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione|8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione

Molecular Formula	C22H18Cl2N4O5
Molecular Weight	488.06543 g/mol
LogP	3.0965
Topological Polar Surface Area	89.51 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	488.06543
Monoisotopic Mass	488.06543
Heavy Atoms	33
Complexity	1522.2229

Chemical Identifiers

CAS Number	369607-46-5
SMILES	CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC(=C(C=C5)Cl)Cl)C