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579450-44-5 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(6-ethyl-1,2-dihydro-2-oxo-3-quinolinyl)methyl]-N-(phenylmethyl)- (9CI)
CAS No: 579450-44-5 Catalog No: AG00EOMA MDL No:
Product Description
Catalog Number:
AG00EOMA
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(6-ethyl-1,2-dihydro-2-oxo-3-quinolinyl)methyl]-N-(phenylmethyl)- (9CI)
CAS Number:
579450-44-5
IUPAC Name:
N-benzyl-3-chloro-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C28H23ClN2O2S/c1-2-18-12-13-23-20(14-18)15-21(27(32)30-23)17-31(16-19-8-4-3-5-9-19)28(33)26-25(29)22-10-6-7-11-24(22)34-26/h3-15H,2,16-17H2,1H3,(H,30,32)
InChI Key:
GCMMIODBWKFUAE-UHFFFAOYSA-N
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.117g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
487.014g/mol
Monoisotopic Mass:
486.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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