Base information

Cat. No.
CAS No.132866-11-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H42ClN3O6
Molecular Weight 648.188
Exact Mass 647.276
XLogP3 8.1324
Mr 187.047
PSA 113.69
Sequence -
Atom number 88
Bond number 90
Ring number 4
Rotor number 14
Residues number 0
Canonical smiles COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(CN(CCC(c1ccccc1)c1ccccc1)C)(C)C)C.Cl

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