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494195-03-8 | 4-(2-Bromo-4,5-dimethoxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester
CAS No: 494195-03-8 Catalog No: AG01EW5Q MDL No:
Product Description
Catalog Number:
AG01EW5Q
Chemical Name:
4-(2-Bromo-4,5-dimethoxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester
CAS Number:
494195-03-8
Molecular Formula:
C28H30BrNO7
Molecular Weight:
572.4443
IUPAC Name:
methyl 4-(2-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C28H30BrNO7/c1-14-25(28(32)37-6)26(17-12-23(35-4)24(36-5)13-18(17)29)27-19(30-14)9-16(10-20(27)31)15-7-8-21(33-2)22(11-15)34-3/h7-8,11-13,16,26,30H,9-10H2,1-6H3
InChI Key:
KXHDJKXAXSSBFT-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CC(C2)c1ccc(c(c1)OC)OC
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.121g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
572.452g/mol
Monoisotopic Mass:
571.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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