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833472-97-2 | Propanedioic acid, (acetylamino)(2-quinoxalinylmethyl)-, diethyl ester
CAS No: 833472-97-2 Catalog No: AG004W8A MDL No:
Product Description
Catalog Number:
AG004W8A
Chemical Name:
Propanedioic acid, (acetylamino)(2-quinoxalinylmethyl)-, diethyl ester
CAS Number:
833472-97-2
Molecular Formula:
C18H21N3O5
Molecular Weight:
359.3764
IUPAC Name:
diethyl 2-acetamido-2-(quinoxalin-2-ylmethyl)propanedioate
InChI:
InChI=1S/C18H21N3O5/c1-4-25-16(23)18(21-12(3)22,17(24)26-5-2)10-13-11-19-14-8-6-7-9-15(14)20-13/h6-9,11H,4-5,10H2,1-3H3,(H,21,22)
InChI Key:
IAOLBJLNNKEKCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Cc1cnc2c(n1)cccc2)NC(=O)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.148g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.382g/mol
Monoisotopic Mass:
359.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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