Home Other Building Blocks NI-57

NI-57

CAS No.:
1883548-89-7
Catalog Number:
AG00ASTS
Molecular Formula:
C19H17N3O4S
Molecular Weight:
383.4210
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$279
- +
25mg
99%
1 week
United States
$557
- +
50mg
99%
1 week
United States
$1001
- +
100mg
99%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG00ASTS
Chemical Name:
NI-57
CAS Number:
1883548-89-7
Molecular Formula:
C19H17N3O4S
Molecular Weight:
383.4210
MDL Number:
MFCD29081191
IUPAC Name:
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
InChI:
InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
InChI Key:
UEMQPCYDWCSVCU-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C
Properties
Complexity:
764  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.094g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
383.422g/mol
Monoisotopic Mass:
383.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties