2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,3-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3-dihydro-8-methyl-,(2R,3R,5R)-


Chemical Name: 2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,3-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3-dihydro-8-methyl-,(2R,3R,5R)-
CAS Number: 191474-13-2
Product Number: AG002F9K(AGN-PC-0QKIOI)
Synonyms:
MDL No: MFCD02683972
Molecular Formula: C31H30N2O6
Molecular Weight: 526.5797

Identification/Properties


Computed Properties
Molecular Weight:
526.589g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
526.21g/mol
Monoisotopic Mass:
526.21g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
905
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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