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579451-36-8 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-7,8-dimethyl-2-oxo-3-quinolinyl)methyl]-N-(3-pyridinylmethyl)- (9CI)
CAS No: 579451-36-8 Catalog No: AG00EOOW MDL No:
Product Description
Catalog Number:
AG00EOOW
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-7,8-dimethyl-2-oxo-3-quinolinyl)methyl]-N-(3-pyridinylmethyl)- (9CI)
CAS Number:
579451-36-8
IUPAC Name:
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C27H22ClN3O2S/c1-16-9-10-19-12-20(26(32)30-24(19)17(16)2)15-31(14-18-6-5-11-29-13-18)27(33)25-23(28)21-7-3-4-8-22(21)34-25/h3-13H,14-15H2,1-2H3,(H,30,32)
InChI Key:
SIMLIKREIFEPKX-UHFFFAOYSA-N
Properties
Complexity:
807
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.112g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
488.002g/mol
Monoisotopic Mass:
487.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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