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78311-71-4 | N-[4-[[4-[2-(2H-TETRAZOL-5-YL)ETHYL-(1,3-THIAZOL-2-YL)SULFAMOYL]PHENYL]IMINOMETHYL]PHENYL]ACETAMIDE
CAS No: 78311-71-4 Catalog No: AG0053Q8 MDL No:
Product Description
Catalog Number:
AG0053Q8
Chemical Name:
N-[4-[[4-[2-(2H-TETRAZOL-5-YL)ETHYL-(1,3-THIAZOL-2-YL)SULFAMOYL]PHENYL]IMINOMETHYL]PHENYL]ACETAMIDE
CAS Number:
78311-71-4
Molecular Formula:
C21H20N8O3S2
Molecular Weight:
496.5653
IUPAC Name:
N-[4-[[4-[2-(2H-tetrazol-5-yl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]phenyl]iminomethyl]phenyl]acetamide
InChI:
InChI=1S/C21H20N8O3S2/c1-15(30)24-18-4-2-16(3-5-18)14-23-17-6-8-19(9-7-17)34(31,32)29(21-22-11-13-33-21)12-10-20-25-27-28-26-20/h2-9,11,13-14H,10,12H2,1H3,(H,24,30)(H,25,26,27,28)
InChI Key:
UCRZODQWCYSGCD-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C=Nc1ccc(cc1)S(=O)(=O)N(c1nccs1)CCc1n[nH]nn1
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.11g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
496.564g/mol
Monoisotopic Mass:
496.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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