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579459-75-9 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-6,7-dimethoxy-2-oxo-3-quinolinyl)methyl]-N-(phenylmethyl)- (9CI)
CAS No: 579459-75-9 Catalog No: AG00EOCR MDL No:
Product Description
Catalog Number:
AG00EOCR
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-6,7-dimethoxy-2-oxo-3-quinolinyl)methyl]-N-(phenylmethyl)- (9CI)
CAS Number:
579459-75-9
IUPAC Name:
N-benzyl-3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C28H23ClN2O4S/c1-34-22-13-18-12-19(27(32)30-21(18)14-23(22)35-2)16-31(15-17-8-4-3-5-9-17)28(33)26-25(29)20-10-6-7-11-24(20)36-26/h3-14H,15-16H2,1-2H3,(H,30,32)
InChI Key:
AGKFTDNPIZBFJW-UHFFFAOYSA-N
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.107g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
519.012g/mol
Monoisotopic Mass:
518.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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