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743388-88-7 | Benzenesulfonamide,4-[[[6-hydroxy-4,5-dimethyl-7-(1-methylethyl)-2-benzothiazolyl]amino]methyl]-
CAS No: 743388-88-7 Catalog No: AG005C3T MDL No:
Product Description
Catalog Number:
AG005C3T
Chemical Name:
Benzenesulfonamide,4-[[[6-hydroxy-4,5-dimethyl-7-(1-methylethyl)-2-benzothiazolyl]amino]methyl]-
CAS Number:
743388-88-7
Molecular Formula:
C19H23N3O3S2
Molecular Weight:
405.5342
IUPAC Name:
4-[[(6-hydroxy-4,5-dimethyl-7-propan-2-yl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide
InChI:
InChI=1S/C19H23N3O3S2/c1-10(2)15-17(23)12(4)11(3)16-18(15)26-19(22-16)21-9-13-5-7-14(8-6-13)27(20,24)25/h5-8,10,23H,9H2,1-4H3,(H,21,22)(H2,20,24,25)
InChI Key:
BRXJNPQSHKIISH-UHFFFAOYSA-N
SMILES:
CC(c1c(O)c(C)c(c2c1sc(n2)NCc1ccc(cc1)S(=O)(=O)N)C)C
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.118g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.531g/mol
Monoisotopic Mass:
405.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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