AC1LQWPW

8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

Also Known As: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione|8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-{[4-(3-chlorophenyl)piperazinyl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimet hyl-1,3,7-trihydropurine-2,6-dione

Molecular Formula	C25H26ClFN6O2
Molecular Weight	496.179 g/mol
LogP	2.5967
Topological Polar Surface Area	68.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	496.179
Monoisotopic Mass	496.179
Heavy Atoms	35
Complexity	1499.6536

Chemical Identifiers

CAS Number	577985-99-0
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=C(C=C5)F