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84271-53-4 | Benzenesulfonamide,N-[3-(6-methoxy-2-benzothiazolyl)-2-oxo-2H-1-benzopyran-7-yl]-
CAS No: 84271-53-4 Catalog No: AG004XZP MDL No:
Product Description
Catalog Number:
AG004XZP
Chemical Name:
Benzenesulfonamide,N-[3-(6-methoxy-2-benzothiazolyl)-2-oxo-2H-1-benzopyran-7-yl]-
CAS Number:
84271-53-4
Molecular Formula:
C23H16N2O5S2
Molecular Weight:
464.5135
IUPAC Name:
N-[3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]benzenesulfonamide
InChI:
InChI=1S/C23H16N2O5S2/c1-29-16-9-10-19-21(13-16)31-22(24-19)18-11-14-7-8-15(12-20(14)30-23(18)26)25-32(27,28)17-5-3-2-4-6-17/h2-13,25H,1H3
InChI Key:
ANCBQOCCNJLKDZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)c1cc2ccc(cc2oc1=O)NS(=O)(=O)c1ccccc1
EC Number:
282-614-0
Properties
Complexity:
836
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.05g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.51g/mol
Monoisotopic Mass:
464.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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