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494193-83-8 | 4-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid propyl ester
CAS No: 494193-83-8 Catalog No: AG01EW5O MDL No:
Product Description
Catalog Number:
AG01EW5O
Chemical Name:
4-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid propyl ester
CAS Number:
494193-83-8
Molecular Formula:
C29H32BrNO7
Molecular Weight:
586.4709
IUPAC Name:
propyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C29H32BrNO7/c1-6-9-38-29(34)25-15(2)31-20-11-17(16-7-8-22(35-3)23(13-16)36-4)12-21(32)27(20)26(25)18-10-19(30)28(33)24(14-18)37-5/h7-8,10,13-14,17,26,31,33H,6,9,11-12H2,1-5H3
InChI Key:
UWEVPHGZEHMWST-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccc(c(c1)OC)OC
Properties
Complexity:
949
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.136g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
586.479g/mol
Monoisotopic Mass:
585.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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