4-(3-methylphenyl)-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-3-one


Chemical Name: 4-(3-methylphenyl)-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-3-one
CAS Number: 72810-61-8
Product Number: AG0061JV(AGN-PC-05J3S7)
Synonyms:
MDL No:
Molecular Formula: C13H11N3O3S
Molecular Weight: 289.3097

Identification/Properties


Computed Properties
Molecular Weight:
289.309g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
289.052g/mol
Monoisotopic Mass:
289.052g/mol
Topological Polar Surface Area:
87.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
488
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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