sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 1-[2-nitro-4-(piperidine-1-sulfonyl)phenyl]piperidine-4-carboxylic acid

1-[2-nitro-4-(piperidine-1-sulfonyl)phenyl]piperidine-4-carboxylic acid

CAS No.:
854035-95-3
Catalog Number:
AG019K1T
Molecular Formula:
C17H23N3O6S
Molecular Weight:
397.4460
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019K1T
Chemical Name:
1-[2-nitro-4-(piperidine-1-sulfonyl)phenyl]piperidine-4-carboxylic acid
CAS Number:
854035-95-3
Molecular Formula:
C17H23N3O6S
Molecular Weight:
397.4460
MDL Number:
MFCD06655210
IUPAC Name:
1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C17H23N3O6S/c21-17(22)13-6-10-18(11-7-13)15-5-4-14(12-16(15)20(23)24)27(25,26)19-8-2-1-3-9-19/h4-5,12-13H,1-3,6-11H2,(H,21,22)
InChI Key:
BWUWTHGRIRHNAV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCCC1
Properties
Complexity:
645  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.131g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
397.446g/mol
Monoisotopic Mass:
397.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties