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865660-28-2

865660-28-2 structural image
Product Name: METHYL 3-[(ANILINOCARBONYL)AMINO]-2-[(4-PHENYLPIPERAZINO)METHYL]BENZENECARBOXYLATE
Formula: C26H28N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 444.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 444.21614077 g/mol
Monoisotopic Mass 444.21614077 g/mol
Topological Polar Surface Area 73.9 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 625
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes