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303059-28-1 | Benzenesulfonamide, N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-
CAS No: 303059-28-1 Catalog No: AG002ZLJ MDL No:
Product Description
Catalog Number:
AG002ZLJ
Chemical Name:
Benzenesulfonamide, N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-
CAS Number:
303059-28-1
Molecular Formula:
C17H11N5O2S
Molecular Weight:
349.3665
IUPAC Name:
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C17H11N5O2S/c18-10-12-11-22-15-9-5-4-8-14(15)19-17(22)20-16(12)21-25(23,24)13-6-2-1-3-7-13/h1-9,11H,(H,19,20,21)
InChI Key:
GKFZOBAYGTWZHW-UHFFFAOYSA-N
SMILES:
N#Cc1cn2c(nc1NS(=O)(=O)c1ccccc1)nc1c2cccc1
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.368g/mol
Monoisotopic Mass:
349.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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