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120164-58-1 | Benzenesulfonamide, 4-[[[6-hydroxy-7-(1-hydroxyethyl)-4,5-dimethyl-2-benzothiazolyl]amino]methyl]-
CAS No: 120164-58-1 Catalog No: AG000QG0 MDL No:
Product Description
Catalog Number:
AG000QG0
Chemical Name:
Benzenesulfonamide, 4-[[[6-hydroxy-7-(1-hydroxyethyl)-4,5-dimethyl-2-benzothiazolyl]amino]methyl]-
CAS Number:
120164-58-1
Molecular Formula:
C18H21N3O4S2
Molecular Weight:
407.5070
IUPAC Name:
4-[[[6-hydroxy-7-(1-hydroxyethyl)-4,5-dimethyl-1,3-benzothiazol-2-yl]amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C18H21N3O4S2/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/h4-7,11,22-23H,8H2,1-3H3,(H,20,21)(H2,19,24,25)
InChI Key:
RAVVXWIPJZJVLY-UHFFFAOYSA-N
SMILES:
CC(c1c(O)c(C)c(c2c1sc(n2)NCc1ccc(cc1)S(=O)(=O)N)C)O
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.097g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
407.503g/mol
Monoisotopic Mass:
407.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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