Name: Name:4-amino-2-benzyl-2,3-dihydro-1H-isoindole-1,3-dione
Brand: Angene
SKU: AG019UKI
Rating: 90 (10 reviews)

4-amino-2-benzyl-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:

92437-58-6

Catalog Number:

AG019UKI

Molecular Formula:

C15H12N2O2

Molecular Weight:

252.2680

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Product Description

Catalog Number:

AG019UKI

Chemical Name:

4-amino-2-benzyl-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number:

92437-58-6

Molecular Formula:

C15H12N2O2

Molecular Weight:

252.2680

IUPAC Name:

4-amino-2-benzylisoindole-1,3-dione

InChI:

InChI=1S/C15H12N2O2/c16-12-8-4-7-11-13(12)15(19)17(14(11)18)9-10-5-2-1-3-6-10/h1-8H,9,16H2

InChI Key:

BOEKGECXVFTDEX-UHFFFAOYSA-N

SMILES:

Nc1cccc2c1C(=O)N(C2=O)Cc1ccccc1

Properties

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.273g/mol

Monoisotopic Mass:

252.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101