4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(1-naphthalenyl)-5-oxo-


Chemical Name: 4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(1-naphthalenyl)-5-oxo-
CAS Number: 1118460-77-7
Product Number: AG007RL0(AGN-PC-050K81)
Synonyms:
MDL No: MFCD12913298
Molecular Formula: C27H22N2O3
Molecular Weight: 422.4752

Identification/Properties


Computed Properties
Molecular Weight:
422.484g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
422.163g/mol
Monoisotopic Mass:
422.163g/mol
Topological Polar Surface Area:
85.3A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
857
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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