6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one


Chemical Name: 6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
CAS Number: 31485-66-2
Product Number: AG00D0BK(AGN-PC-0JVK49)
Synonyms:
MDL No:
Molecular Formula: C16H14N2O3S
Molecular Weight: 314.3590

Identification/Properties


Computed Properties
Molecular Weight:
314.359g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
314.073g/mol
Monoisotopic Mass:
314.073g/mol
Topological Polar Surface Area:
82.9A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
439
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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