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493034-13-2 | 4-(3-Bromo-5-ethoxy-4-methoxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid cyclopentyl
CAS No: 493034-13-2 Catalog No: AG01EW5K MDL No:
Product Description
Catalog Number:
AG01EW5K
Chemical Name:
4-(3-Bromo-5-ethoxy-4-methoxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid cyclopentyl
CAS Number:
493034-13-2
Molecular Formula:
C33H38BrNO7
Molecular Weight:
640.5613
IUPAC Name:
cyclopentyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C33H38BrNO7/c1-6-41-28-17-21(13-23(34)32(28)40-5)30-29(33(37)42-22-9-7-8-10-22)18(2)35-24-14-20(15-25(36)31(24)30)19-11-12-26(38-3)27(16-19)39-4/h11-13,16-17,20,22,30,35H,6-10,14-15H2,1-5H3
InChI Key:
GELIGHKGWPOTMD-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1OC)Br)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCC1)C
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
639.183g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
640.571g/mol
Monoisotopic Mass:
639.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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