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87562-34-3 | 3-Pyridinecarboxylic acid, 2-[(2-methyl-1-octyl-1H-indol-3-yl)carbonyl]-
CAS No: 87562-34-3 Catalog No: AG004RLD MDL No:
Product Description
Catalog Number:
AG004RLD
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2-methyl-1-octyl-1H-indol-3-yl)carbonyl]-
CAS Number:
87562-34-3
Molecular Formula:
C24H28N2O3
Molecular Weight:
392.4907
IUPAC Name:
2-(2-methyl-1-octylindole-3-carbonyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C24H28N2O3/c1-3-4-5-6-7-10-16-26-17(2)21(18-12-8-9-14-20(18)26)23(27)22-19(24(28)29)13-11-15-25-22/h8-9,11-15H,3-7,10,16H2,1-2H3,(H,28,29)
InChI Key:
CNVJDEKEVSYKTB-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c2ccccc2c(c1C)C(=O)c1ncccc1C(=O)O
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.21g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.499g/mol
Monoisotopic Mass:
392.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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