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959574-95-9

959574-95-9 structural image
Product Name: 1,5-Benzoxazepine-5(2H)-acetic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-, (3S)-
Formula: C26H22N2O6
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COMPUTED DESCRIPTORS

Molecular Weight 458.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 458.14778643 g/mol
Monoisotopic Mass 458.14778643 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 752
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes