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85124-17-0

85124-17-0 | 1H-Indole-1-acetamide, 2,3-dihydro-2,3-dioxo-

CAS No: 85124-17-0 Catalog No: AG004O3Z MDL No:MFCD00450372

Product Description

Catalog Number:
AG004O3Z
Chemical Name:
1H-Indole-1-acetamide, 2,3-dihydro-2,3-dioxo-
CAS Number:
85124-17-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD00450372
IUPAC Name:
2-(2,3-dioxoindol-1-yl)acetamide
InChI:
InChI=1S/C10H8N2O3/c11-8(13)5-12-7-4-2-1-3-6(7)9(14)10(12)15/h1-4H,5H2,(H2,11,13)
InChI Key:
PFDMWGKCXRICRV-UHFFFAOYSA-N
SMILES:
NC(=O)CN1c2ccccc2C(=O)C1=O

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

Literature

Title Journal
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. Journal of medicinal chemistry 20070419

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