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1775346-95-6

1775346-95-6 structural image
Product Name: N-(4-ethylphenyl)-5-methyl-12-oxo-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
Formula: C23H27N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 377.5 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 377.21032711 g/mol
Monoisotopic Mass 377.21032711 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 572
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