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120164-47-8

120164-47-8 | Benzenesulfonamide, N,N-diethyl-4-[[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]-

CAS No: 120164-47-8 Catalog No: AG000QG3 MDL No:

Product Description

Catalog Number:
AG000QG3
Chemical Name:
Benzenesulfonamide, N,N-diethyl-4-[[(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino]methyl]-
CAS Number:
120164-47-8
Molecular Formula:
C21H27N3O3S2
Molecular Weight:
433.5874
IUPAC Name:
N,N-diethyl-4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C21H27N3O3S2/c1-6-24(7-2)29(26,27)17-10-8-16(9-11-17)12-22-21-23-18-13(3)14(4)19(25)15(5)20(18)28-21/h8-11,25H,6-7,12H2,1-5H3,(H,22,23)
InChI Key:
BULOGRPQSVNRCT-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(cc1)CNc1nc2c(s1)c(C)c(c(c2C)C)O)CC

Properties

Complexity:
630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.149g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
433.585g/mol
Monoisotopic Mass:
433.149g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

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