Base information

Cat. No.
CAS No.13082-24-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H56N6O3S2
Molecular Weight 793.095
Exact Mass 792.386
XLogP3 7.8139
Mr 242.983
PSA 105.57
Sequence -
Atom number 112
Bond number 119
Ring number 8
Rotor number 12
Residues number 0
Canonical smiles O=C(C(c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1)N1CCOCC1)C(c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1)N1CCOCC1

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