CAS 1217-89-6 | 1H-Indole-2,3-dione, 1-(phenylmethyl)- | CAS Number 1217-89-6

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1217-89-6 | 1H-Indole-2,3-dione, 1-(phenylmethyl)-

CAS No: 1217-89-6 Catalog No: AG0015MC MDL No:MFCD00187663

Product Description

Catalog Number:

AG0015MC

Chemical Name:

1H-Indole-2,3-dione, 1-(phenylmethyl)-

CAS Number:

1217-89-6

Molecular Formula:

C15H11NO2

Molecular Weight:

237.2533

MDL Number:

MFCD00187663

IUPAC Name:

1-benzylindole-2,3-dione

InChI:

InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2

InChI Key:

SIISFRLGYDVIRG-UHFFFAOYSA-N

SMILES:

O=C1C(=O)c2c(N1Cc1ccccc1)cccc2

NSC Number:

100000

Properties

Complexity:

346

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.258g/mol

Monoisotopic Mass:

237.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
N-Benzyl-isatin.	Acta crystallographica. Section E, Structure reports online 20120301
Dimethyl 2-(1-benzyl-2-oxoindolin-3-yl-idene)-1,3-dithiole-4,5-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20110201
Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.	Bioorganic & medicinal chemistry letters 20090515
Synthesis of novel enantiopure biphenyl P,N-ligands and application in palladium-catalyzed asymmetric addition of arylboronic acids to N-benzylisatin.	The Journal of organic chemistry 20090102
Synthesis and characterization of new Schiff bases derived from N (1)-substituted isatin with dithiooxamide and their Co(II), Ni(II), Cu(II), Pd(II), and Pt(IV) complexes.	Bioinorganic chemistry and applications 20090101
Synthesis, antibacterial, antifungal and antiviral activity evaluation of some new bis-Schiff bases of isatin and their derivatives.	Molecules (Basel, Switzerland) 20070807
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.	Journal of medicinal chemistry 20070419
1-Benzyl-3,3-dichloro-1H-indol-2(3H)-one.	Acta crystallographica. Section C, Crystal structure communications 20070301
Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain.	Bioorganic & medicinal chemistry letters 20031020