4H-Isoindol-4-one,octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-,(3aR,7aR)-


Chemical Name: 4H-Isoindol-4-one,octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-,(3aR,7aR)-
CAS Number: 135911-02-3
Product Number: AG00728M(AGN-PC-0PKQJ5)
Synonyms:
MDL No: MFCD00903364
Molecular Formula: C29H30N2O2
Molecular Weight: 438.5607

Identification/Properties


Computed Properties
Molecular Weight:
438.571g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
438.231g/mol
Monoisotopic Mass:
438.231g/mol
Topological Polar Surface Area:
53.4A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
676
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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