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494195-84-5 | 4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid (2-methoxy-phenyl)-amide
CAS No: 494195-84-5 Catalog No: AG01EW5T MDL No:
Product Description
Catalog Number:
AG01EW5T
Chemical Name:
4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid (2-methoxy-phenyl)-amide
CAS Number:
494195-84-5
Molecular Formula:
C26H27BrN2O5
Molecular Weight:
527.4070
IUPAC Name:
4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C26H27BrN2O5/c1-4-34-21-13-15(12-16(27)25(21)31)23-22(14(2)28-18-9-7-10-19(30)24(18)23)26(32)29-17-8-5-6-11-20(17)33-3/h5-6,8,11-13,23,28,31H,4,7,9-10H2,1-3H3,(H,29,32)
InChI Key:
VFIAGZFUJFJECK-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1ccccc1OC
Properties
Complexity:
856
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.11g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
527.415g/mol
Monoisotopic Mass:
526.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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