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120164-59-2 | Benzenesulfonamide, 4-[[(7-acetyl-6-hydroxy-4,5-dimethyl-2-benzothiazolyl)amino]methyl]-
CAS No: 120164-59-2 Catalog No: AG000QFZ MDL No:
Product Description
Catalog Number:
AG000QFZ
Chemical Name:
Benzenesulfonamide, 4-[[(7-acetyl-6-hydroxy-4,5-dimethyl-2-benzothiazolyl)amino]methyl]-
CAS Number:
120164-59-2
Molecular Formula:
C18H19N3O4S2
Molecular Weight:
405.4912
IUPAC Name:
4-[[(7-acetyl-6-hydroxy-4,5-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C18H19N3O4S2/c1-9-10(2)16(23)14(11(3)22)17-15(9)21-18(26-17)20-8-12-4-6-13(7-5-12)27(19,24)25/h4-7,23H,8H2,1-3H3,(H,20,21)(H2,19,24,25)
InChI Key:
DGLITGKCOAVYFO-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)c(C)c(c2c1sc(n2)NCc1ccc(cc1)S(=O)(=O)N)C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.082g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.487g/mol
Monoisotopic Mass:
405.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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