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23433-48-9 | 2-Quinoxalinecarboxamide, N-(2-methoxyphenyl)-3-methyl-, 1,4-dioxide
CAS No: 23433-48-9 Catalog No: AG002N7T MDL No:
Product Description
Catalog Number:
AG002N7T
Chemical Name:
2-Quinoxalinecarboxamide, N-(2-methoxyphenyl)-3-methyl-, 1,4-dioxide
CAS Number:
23433-48-9
Molecular Formula:
C17H15N3O4
Molecular Weight:
325.3187
IUPAC Name:
N-(2-methoxyphenyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
InChI:
InChI=1S/C17H15N3O4/c1-11-16(17(21)18-12-7-3-6-10-15(12)24-2)20(23)14-9-5-4-8-13(14)19(11)22/h3-10H,1-2H3,(H,18,21)
InChI Key:
VWCVWLCOHPDKRE-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=O)c1[n+]([O-])c2ccccc2[n+](c1C)[O-]
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.324g/mol
Monoisotopic Mass:
325.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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