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579518-87-9 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(4-methoxyphenyl)methyl]-N-[(2,3,6,7-tetrahydro-7-oxo-1,4-dioxino[2,3-g]quinolin-8-yl)methyl]- (9CI)
CAS No: 579518-87-9 Catalog No: AG00EOIR MDL No:
Product Description
Catalog Number:
AG00EOIR
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(4-methoxyphenyl)methyl]-N-[(2,3,6,7-tetrahydro-7-oxo-1,4-dioxino[2,3-g]quinolin-8-yl)methyl]- (9CI)
CAS Number:
579518-87-9
IUPAC Name:
3-chloro-N-[(4-methoxyphenyl)methyl]-N-[(8-oxo-3,9-dihydro-2H-benzo[g][1,4]benzodioxin-7-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C30H24ClNO5S/c1-35-22-8-6-18(7-9-22)16-32(30(34)29-28(31)23-4-2-3-5-27(23)38-29)17-21-12-19-14-25-26(37-11-10-36-25)15-20(19)13-24(21)33/h2-9,12,14-15H,10-11,13,16-17H2,1H3
InChI Key:
VCEFXGDUJGPYRX-UHFFFAOYSA-N
Properties
Complexity:
907
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.106g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.034g/mol
Monoisotopic Mass:
545.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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