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Home > Indoles and Oxindole > 84640-78-8
84640-78-8 | 2H-Indol-2-one,1,3-dihydro-1,5-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-
CAS No: 84640-78-8 Catalog No: AG004Q12 MDL No:
Product Description
Catalog Number:
AG004Q12
Chemical Name:
2H-Indol-2-one,1,3-dihydro-1,5-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-
CAS Number:
84640-78-8
Molecular Formula:
C18H14N4O2
Molecular Weight:
318.3294
IUPAC Name:
1,5-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]indol-2-one
InChI:
InChI=1S/C18H14N4O2/c1-11-8-9-14-13(10-11)15(17(23)22(14)2)19-18-21-20-16(24-18)12-6-4-3-5-7-12/h3-10H,1-2H3
InChI Key:
AWZXFZNWGJQYAS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=Nc1nnc(o1)c1ccccc1)C(=O)N2C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.112g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.336g/mol
Monoisotopic Mass:
318.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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