3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one


Chemical Name: 3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one
CAS Number: 869802-58-4
Product Number: AG004HE0(AGN-PC-00BKQU)
Synonyms:
MDL No:
Molecular Formula: C17H21N5OS
Molecular Weight: 343.4465

Identification/Properties


Computed Properties
Molecular Weight:
343.449g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
343.147g/mol
Monoisotopic Mass:
343.147g/mol
Topological Polar Surface Area:
80.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
505
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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