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1076198-55-4

1076198-55-4 structural image
Product Name: N-(2-METHYL-5-NITROPHENYL)-N-[4-PYRIDIN-3-YL-PYRIMIDIN-2-YL]-T-BOC
Formula: C21H21N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 407.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 407.15935417 g/mol
Monoisotopic Mass 407.15935417 g/mol
Topological Polar Surface Area 114 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 605
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