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78311-67-8 | 4-(((4-HYDROXYPHENYL)METHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-THIAZOL-2-YLBENZENESULFONAMIDE
CAS No: 78311-67-8 Catalog No: AG0053QB MDL No:
Product Description
Catalog Number:
AG0053QB
Chemical Name:
4-(((4-HYDROXYPHENYL)METHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-THIAZOL-2-YLBENZENESULFONAMIDE
CAS Number:
78311-67-8
Molecular Formula:
C19H17N7O3S2
Molecular Weight:
455.5134
IUPAC Name:
4-[(4-hydroxyphenyl)methylideneamino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C19H17N7O3S2/c27-16-5-1-14(2-6-16)13-21-15-3-7-17(8-4-15)31(28,29)26(19-20-10-12-30-19)11-9-18-22-24-25-23-18/h1-8,10,12-13,27H,9,11H2,(H,22,23,24,25)
InChI Key:
XPZOPPOTBCTLDN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Nc1ccc(cc1)S(=O)(=O)N(c1nccs1)CCc1[nH]nnn1
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.083g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
455.511g/mol
Monoisotopic Mass:
455.083g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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