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579457-66-2 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-6-methoxy-2-oxo-3-quinolinyl)methyl]-N-(phenylmethyl)- (9CI)
CAS No: 579457-66-2 Catalog No: AG00EHP2 MDL No:
Product Description
Catalog Number:
AG00EHP2
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-6-methoxy-2-oxo-3-quinolinyl)methyl]-N-(phenylmethyl)- (9CI)
CAS Number:
579457-66-2
IUPAC Name:
N-benzyl-3-chloro-N-[(6-methoxy-2-oxo-3H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C27H21ClN2O3S/c1-33-20-11-12-22-18(14-20)13-19(26(31)29-22)16-30(15-17-7-3-2-4-8-17)27(32)25-24(28)21-9-5-6-10-23(21)34-25/h2-14,19H,15-16H2,1H3
InChI Key:
OVGQFGFRHZTYTL-UHFFFAOYSA-N
Properties
Complexity:
936
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.096g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.986g/mol
Monoisotopic Mass:
488.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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