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579518-82-4 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(2-chlorophenyl)methyl]-N-[(2,3,6,7-tetrahydro-7-oxo-1,4-dioxino[2,3-g]quinolin-8-yl)methyl]- (9CI)
CAS No: 579518-82-4 Catalog No: AG00EOCA MDL No:
Product Description
Catalog Number:
AG00EOCA
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(2-chlorophenyl)methyl]-N-[(2,3,6,7-tetrahydro-7-oxo-1,4-dioxino[2,3-g]quinolin-8-yl)methyl]- (9CI)
CAS Number:
579518-82-4
IUPAC Name:
3-chloro-N-[(2-chlorophenyl)methyl]-N-[(8-oxo-3,9-dihydro-2H-benzo[g][1,4]benzodioxin-7-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C29H21Cl2NO4S/c30-22-7-3-1-5-17(22)15-32(29(34)28-27(31)21-6-2-4-8-26(21)37-28)16-20-11-18-13-24-25(36-10-9-35-24)14-19(18)12-23(20)33/h1-8,11,13-14H,9-10,12,15-16H2
InChI Key:
KFYSUJLTXDOHDA-UHFFFAOYSA-N
Properties
Complexity:
901
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.057g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.45g/mol
Monoisotopic Mass:
549.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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