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579459-04-4 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(6-ethoxy-1,2-dihydro-2-oxo-3-quinolinyl)methyl]-N-[(4-methoxyphenyl)methyl]- (9CI)
CAS No: 579459-04-4 Catalog No: AG00EO9Y MDL No:
Product Description
Catalog Number:
AG00EO9Y
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(6-ethoxy-1,2-dihydro-2-oxo-3-quinolinyl)methyl]-N-[(4-methoxyphenyl)methyl]- (9CI)
CAS Number:
579459-04-4
IUPAC Name:
3-chloro-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C29H25ClN2O4S/c1-3-36-22-12-13-24-19(15-22)14-20(28(33)31-24)17-32(16-18-8-10-21(35-2)11-9-18)29(34)27-26(30)23-6-4-5-7-25(23)37-27/h4-15H,3,16-17H2,1-2H3,(H,31,33)
InChI Key:
OOQAGBKETFDZSW-UHFFFAOYSA-N
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.122g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
533.039g/mol
Monoisotopic Mass:
532.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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