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Home > Indoles and Oxindole > 84640-91-5
84640-91-5 | 2H-Indol-2-one,1,3-dihydro-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-
CAS No: 84640-91-5 Catalog No: AG004TO5 MDL No:
Product Description
Catalog Number:
AG004TO5
Chemical Name:
2H-Indol-2-one,1,3-dihydro-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-
CAS Number:
84640-91-5
Molecular Formula:
C17H12N4O2
Molecular Weight:
304.3028
IUPAC Name:
(3Z)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1H-indol-2-one
InChI:
InChI=1S/C17H12N4O2/c1-10-7-8-13-12(9-10)14(15(22)18-13)19-17-21-20-16(23-17)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21,22)
InChI Key:
IIRQFOQQQJUMDR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=Nc1nnc(o1)c1ccccc1)C(=O)N2
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
304.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.309g/mol
Monoisotopic Mass:
304.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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