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899972-66-8

899972-66-8 structural image
Product Name: 3-(1'-ethyl-7-methoxyspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-yl)phenol
Formula: C23H27N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 393.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 393.20524173 g/mol
Monoisotopic Mass 393.20524173 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 619
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