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127786-20-3 | Benzoic acid, 4-[2-[2-furanyl[(2-methyl-4-oxo-3(4H)-quinazolinyl)imino]methyl]diazenyl]-, 2-(phenylmethylene)hydrazide
CAS No: 127786-20-3 Catalog No: AG000XE3 MDL No:
Product Description
Catalog Number:
AG000XE3
Chemical Name:
Benzoic acid, 4-[2-[2-furanyl[(2-methyl-4-oxo-3(4H)-quinazolinyl)imino]methyl]diazenyl]-, 2-(phenylmethylene)hydrazide
CAS Number:
127786-20-3
Molecular Formula:
C28H21N7O3
Molecular Weight:
503.5114
IUPAC Name:
N-[(E)-benzylideneamino]-4-[[(Z)-C-(furan-2-yl)-N-(2-methyl-4-oxoquinazolin-3-yl)carbonimidoyl]diazenyl]benzamide
InChI:
InChI=1S/C28H21N7O3/c1-19-30-24-11-6-5-10-23(24)28(37)35(19)34-26(25-12-7-17-38-25)32-31-22-15-13-21(14-16-22)27(36)33-29-18-20-8-3-2-4-9-20/h2-18H,1H3,(H,33,36)/b29-18+,32-31?,34-26-
InChI Key:
QFBQPZULADHTPA-DZDHHQMWSA-N
SMILES:
O=C(c1ccc(cc1)N=NC(=Nn1c(C)nc2c(c1=O)cccc2)c1ccco1)NN=Cc1ccccc1
Properties
Complexity:
964
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
503.171g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
503.522g/mol
Monoisotopic Mass:
503.171g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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