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78311-70-3 | 4-(((4-(DIMETHYLAMINO)PHENYL)METHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-2- THIAZOLYLBENZENESULFONAMIDE
CAS No: 78311-70-3 Catalog No: AG0053Q9 MDL No:
Product Description
Catalog Number:
AG0053Q9
Chemical Name:
4-(((4-(DIMETHYLAMINO)PHENYL)METHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-2- THIAZOLYLBENZENESULFONAMIDE
CAS Number:
78311-70-3
Molecular Formula:
C21H22N8O2S2
Molecular Weight:
482.5818
IUPAC Name:
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C21H22N8O2S2/c1-28(2)18-7-3-16(4-8-18)15-23-17-5-9-19(10-6-17)33(30,31)29(21-22-12-14-32-21)13-11-20-24-26-27-25-20/h3-10,12,14-15H,11,13H2,1-2H3,(H,24,25,26,27)
InChI Key:
DWPAIOHKWLDMDO-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=Nc1ccc(cc1)S(=O)(=O)N(c1nccs1)CCc1nnn[nH]1)C
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.131g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
482.581g/mol
Monoisotopic Mass:
482.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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