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477871-35-5

477871-35-5 | 3-(4-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanehydrazide

CAS No: 477871-35-5 Catalog No: AG00IR5W MDL No:MFCD02102413

Product Description

Catalog Number:
AG00IR5W
Chemical Name:
3-(4-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanehydrazide
CAS Number:
477871-35-5
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
MDL Number:
MFCD02102413
IUPAC Name:
3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanehydrazide
InChI:
InChI=1S/C17H17N3O3/c18-19-16(22)15(9-11-5-7-13(21)8-6-11)20-10-12-3-1-2-4-14(12)17(20)23/h1-8,15,21H,9-10,18H2,(H,19,22)
InChI Key:
FASAGEUJTYPSKH-UHFFFAOYSA-N
SMILES:
NNC(=O)C(N1Cc2c(C1=O)cccc2)Cc1ccc(cc1)O

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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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