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494195-88-9 | 4-(4-Bromo-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid (2-methoxy-phenyl)-amide
CAS No: 494195-88-9 Catalog No: AG01EW5U MDL No:
Product Description
Catalog Number:
AG01EW5U
Chemical Name:
4-(4-Bromo-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid (2-methoxy-phenyl)-amide
CAS Number:
494195-88-9
Molecular Formula:
C24H23BrN2O3
Molecular Weight:
467.3550
IUPAC Name:
4-(4-bromophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C24H23BrN2O3/c1-14-21(24(29)27-17-6-3-4-9-20(17)30-2)22(15-10-12-16(25)13-11-15)23-18(26-14)7-5-8-19(23)28/h3-4,6,9-13,22,26H,5,7-8H2,1-2H3,(H,27,29)
InChI Key:
UXYPTPOYWWBDJW-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CCC2
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.089g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.363g/mol
Monoisotopic Mass:
466.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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