5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one


Chemical Name: 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
CAS Number: 14513-15-6
Product Number: AG001KLV(AGN-PC-0KR4KS)
Synonyms:
MDL No: MFCD09057543
Molecular Formula: C21H16N2O2S
Molecular Weight: 360.4289

Identification/Properties


Computed Properties
Molecular Weight:
360.431g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
360.093g/mol
Monoisotopic Mass:
360.093g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
597
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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