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337503-97-6 | 2-p-Tolyl-quinoline-4-carboxylic acid (2-bromo-phenyl)-amide
CAS No: 337503-97-6 Catalog No: AG01EVK8 MDL No:
Product Description
Catalog Number:
AG01EVK8
Chemical Name:
2-p-Tolyl-quinoline-4-carboxylic acid (2-bromo-phenyl)-amide
CAS Number:
337503-97-6
Molecular Formula:
C23H17BrN2O
Molecular Weight:
417.2979
IUPAC Name:
N-(2-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
InChI:
InChI=1S/C23H17BrN2O/c1-15-10-12-16(13-11-15)22-14-18(17-6-2-4-8-20(17)25-22)23(27)26-21-9-5-3-7-19(21)24/h2-14H,1H3,(H,26,27)
InChI Key:
KBKVUJCGAWACLV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1ccccc1Br
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.052g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.306g/mol
Monoisotopic Mass:
416.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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