ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate


Chemical Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
CAS Number: 1373423-53-0
Product Number: AG009CC7(AGN-PC-0JJS82)
Synonyms:
MDL No: MFCD22683852
Molecular Formula: C24H27N5O2
Molecular Weight: 417.5035

Identification/Properties


Computed Properties
Molecular Weight:
417.513g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
8
Exact Mass:
417.216g/mol
Monoisotopic Mass:
417.216g/mol
Topological Polar Surface Area:
80.2A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
546
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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