Base information

Cat. No.
CAS No.83949-75-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C20H25N3O4S
Molecular Weight 403.495
Exact Mass 403.157
XLogP3 3.9474
Mr 116.1
PSA 93.42
Sequence -
Atom number 53
Bond number 54
Ring number 3
Rotor number 4
Residues number 0
Canonical smiles CN(c1ccccc1)/N=C/C1=[N+](C)c2c(C1(C)C)cccc2.COS(=O)(=O)[O-]

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