Base information

Cat. No.
CAS No.12040-44-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C56H68Cl4CuN16S4
Molecular Weight 1298.86
Exact Mass 1295.27
XLogP3 -8.8305
Mr 366.954
PSA 210.22
Sequence -
Atom number 149
Bond number 154
Ring number 10
Rotor number 16
Residues number 0
Canonical smiles CN(C(=[N+](C)C)SCc1ccc2c(c1)c1/N=C/3\N=C(c4c3ccc(c4)CSC(=[N+](C)C)N(C)C)/N=c/3\n4[Cu]n1c2/N=C/1\N=C(c2c1cc(cc2)CSC(=[N+](C)C)N(C)C)/N=c\4/c1c3ccc(c1)CSC(=[N+](C)C)N(C)C)C.[Cl-].[Cl-].[Cl-].[Cl-]

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