AC1MX2OH

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

Also Known As: Oprea1_029833|8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione|8-(benzo[1,3]dioxol-5-ylmethylamino)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione|8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C22H19Cl2N5O4
Molecular Weight	487.08142 g/mol
LogP	3.1296
Topological Polar Surface Area	92.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	487.08142
Monoisotopic Mass	487.08142
Heavy Atoms	33
Complexity	1522.2229

Chemical Identifiers

CAS Number	370075-35-7
SMILES	CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C