HIT ID: HIT212671330
Cas No: 2517771-89-8
分子式: C20H19Cl3N2O2S
分子量: 457.79
常用名: GSK2945 hydrochloride (1438071-12-5 free base)
常用名: GSK2945 hydrochloride (1438071-12-5 free base)
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 7.103961
IUPAC: [(4-chloro-2-methylphenyl)methyl][(4-chlorophenyl)methyl][(5-nitrothiophen-2-yl)methyl]amine hydrochloride
IUPAC: [(4-chloro-2-methylphenyl)methyl][(4-chlorophenyl)methyl][(5-nitrothiophen-2-yl)methyl]amine hydrochloride
SMILES: Cl.Cc1cc(Cl)ccc1CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
SMILES: Cl.Cc1cc(Cl)ccc1CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
InChI key: HRNMOPTYOFRUFF-UHFFFAOYSA-N
