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139459-45-3 | Imidazo[1,5-a]quinoxalin-4(5H)-one, 6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-
CAS No: 139459-45-3 Catalog No: AG001B2O MDL No:
Product Description
Catalog Number:
AG001B2O
Chemical Name:
Imidazo[1,5-a]quinoxalin-4(5H)-one, 6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-
CAS Number:
139459-45-3
Molecular Formula:
C16H12ClN5O2
Molecular Weight:
341.7518
IUPAC Name:
6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one
InChI:
InChI=1S/C16H12ClN5O2/c1-21-12-9(17)3-2-4-10(12)22-7-18-11(13(22)16(21)23)15-19-14(20-24-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChI Key:
XJEIMDYZJFFAQB-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1n(C)c(=O)c1n2cnc1c1noc(n1)C1CC1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.755g/mol
Monoisotopic Mass:
341.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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