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866137-65-7

866137-65-7 structural image
Product Name: 2-(2-[4-(4-METHOXYPHENYL)PIPERAZINO]ETHYL)-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula: C21H24N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 412.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 412.17466988 g/mol
Monoisotopic Mass 412.17466988 g/mol
Topological Polar Surface Area 99.9 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 599
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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