3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one


Chemical Name: 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CAS Number: 120166-69-0
Product Number: AG000QGF(AGN-PC-0JUH5L)
Synonyms:
MDL No: MFCD00069258
Molecular Formula: C28H25F2N3OS
Molecular Weight: 489.5794

Identification/Properties


Computed Properties
Molecular Weight:
489.585g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
489.169g/mol
Monoisotopic Mass:
489.169g/mol
Topological Polar Surface Area:
67.7A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
770
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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