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120164-48-9 | Benzenesulfonamide, N-(2-hydroxyethyl)-4-[[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]-
CAS No: 120164-48-9 Catalog No: AG000QG2 MDL No:
Product Description
Catalog Number:
AG000QG2
Chemical Name:
Benzenesulfonamide, N-(2-hydroxyethyl)-4-[[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]-
CAS Number:
120164-48-9
Molecular Formula:
C19H23N3O4S2
Molecular Weight:
421.5336
IUPAC Name:
N-(2-hydroxyethyl)-4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C19H23N3O4S2/c1-11-12(2)17(24)13(3)18-16(11)22-19(27-18)20-10-14-4-6-15(7-5-14)28(25,26)21-8-9-23/h4-7,21,23-24H,8-10H2,1-3H3,(H,20,22)
InChI Key:
LCDWMECCBOPYGP-UHFFFAOYSA-N
SMILES:
OCCNS(=O)(=O)c1ccc(cc1)CNc1nc2c(s1)c(C)c(c(c2C)C)O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.113g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
421.53g/mol
Monoisotopic Mass:
421.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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