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861212-95-5

861212-95-5 structural image
Product Name: 2-([4-(2,5-DIMETHYLBENZYL)-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]CARBONYL)BENZENECARBOXYLIC ACID
Formula: C25H21NO5
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COMPUTED DESCRIPTORS

Molecular Weight 415.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 415.14197277 g/mol
Monoisotopic Mass 415.14197277 g/mol
Topological Polar Surface Area 83.9 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 693
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