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493034-23-4 | 4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid isopropyl
CAS No: 493034-23-4 Catalog No: AG01EW5L MDL No:
Product Description
Catalog Number:
AG01EW5L
Chemical Name:
4-(3-Bromo-5-ethoxy-4-hydroxy-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid isopropyl
CAS Number:
493034-23-4
Molecular Formula:
C30H34BrNO7
Molecular Weight:
600.4975
IUPAC Name:
propan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C30H34BrNO7/c1-7-38-25-14-19(10-20(31)29(25)34)27-26(30(35)39-15(2)3)16(4)32-21-11-18(12-22(33)28(21)27)17-8-9-23(36-5)24(13-17)37-6/h8-10,13-15,18,27,32,34H,7,11-12H2,1-6H3
InChI Key:
DSRPAMMUSFLZJP-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC(C)C)C
Properties
Complexity:
978
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
599.152g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
600.506g/mol
Monoisotopic Mass:
599.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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