AC1MZ4XR

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

Also Known As: Oprea1_844089|8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-(1,3-benzodioxol-5-ylmethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione|8-(benzo[1,3]dioxol-5-ylmethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione|8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(3,4-dichlorobenzyl)-1,3-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	317841-58-0
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC(=C(C=C5)Cl)Cl