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29197-37-3 | Benzoic acid, 4,4'-([2,2'-biquinoline]-4,4'-diyldiimino)bis-, diethyl ester (9CI)
CAS No: 29197-37-3 Catalog No: AG002XNJ MDL No:
Product Description
Catalog Number:
AG002XNJ
Chemical Name:
Benzoic acid, 4,4'-([2,2'-biquinoline]-4,4'-diyldiimino)bis-, diethyl ester (9CI)
CAS Number:
29197-37-3
Molecular Formula:
C36H30N4O4
Molecular Weight:
582.6478
IUPAC Name:
ethyl 4-[[2-[4-(4-ethoxycarbonylanilino)quinolin-2-yl]quinolin-4-yl]amino]benzoate
InChI:
InChI=1S/C36H30N4O4/c1-3-43-35(41)23-13-17-25(18-14-23)37-31-21-33(39-29-11-7-5-9-27(29)31)34-22-32(28-10-6-8-12-30(28)40-34)38-26-19-15-24(16-20-26)36(42)44-4-2/h5-22H,3-4H2,1-2H3,(H,37,39)(H,38,40)
InChI Key:
WIWNMDGUADMYMO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Nc1cc(nc2c1cccc2)c1cc(Nc2ccc(cc2)C(=O)OCC)c2c(n1)cccc2
Properties
Complexity:
859
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.227g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
582.66g/mol
Monoisotopic Mass:
582.227g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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