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120165-55-1 | Benzenesulfonamide, 4-[[(6-methoxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]-
CAS No: 120165-55-1 Catalog No: AG000QGG MDL No:MFCD18825616
Product Description
Catalog Number:
AG000QGG
Chemical Name:
Benzenesulfonamide, 4-[[(6-methoxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]-
CAS Number:
120165-55-1
Molecular Formula:
C18H21N3O3S2
Molecular Weight:
391.5076
MDL Number:
MFCD18825616
IUPAC Name:
4-[[(6-methoxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C18H21N3O3S2/c1-10-11(2)16(24-4)12(3)17-15(10)21-18(25-17)20-9-13-5-7-14(8-6-13)26(19,22)23/h5-8H,9H2,1-4H3,(H,20,21)(H2,19,22,23)
InChI Key:
WGEDHHUIAFKIBR-UHFFFAOYSA-N
SMILES:
COc1c(C)c2sc(nc2c(c1C)C)NCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.102g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.504g/mol
Monoisotopic Mass:
391.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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