AC1LK8KX

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

Also Known As: Oprea1_625007|7-(4-chlorobenzyl)-8-((4-fluorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-(4-chlorobenzyl)-8-[(4-fluorobenzyl)thio]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione|7-(4-chlorobenzyl)-8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione

Molecular Formula	C21H18ClFN4O2S
Molecular Weight	444.0823 g/mol
LogP	3.5668
Topological Polar Surface Area	61.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	444.0823
Monoisotopic Mass	444.0823
Heavy Atoms	30
Complexity	1341.4271

Chemical Identifiers

CAS Number	511237-97-1
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=C(C=C4)Cl