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351066-25-6

351066-25-6 | N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

CAS No: 351066-25-6 Catalog No: AG00JGFW MDL No:MFCD02152999

Product Description

Catalog Number:
AG00JGFW
Chemical Name:
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CAS Number:
351066-25-6
Molecular Formula:
C16H17N3O4S
Molecular Weight:
347.3889
MDL Number:
MFCD02152999
IUPAC Name:
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
InChI:
InChI=1S/C16H17N3O4S/c20-13-8-11(9-19(13)12-4-2-1-3-5-12)15(22)17-6-7-18-14(21)10-24-16(18)23/h1-5,11H,6-10H2,(H,17,22)
InChI Key:
JPTHNJVRGSFFPB-UHFFFAOYSA-N
SMILES:
O=C(C1CN(C(=O)C1)c1ccccc1)NCCN1C(=O)CSC1=O

Properties

Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.094g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
347.389g/mol
Monoisotopic Mass:
347.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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

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