Name: Name:1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
Brand: Angene
SKU: AG019HLE
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1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

CAS No.:

140481-07-8

Catalog Number:

AG019HLE

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

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Product Description

Catalog Number:

AG019HLE

Chemical Name:

1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

CAS Number:

140481-07-8

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

MDL Number:

MFCD03966916

IUPAC Name:

1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione

InChI:

InChI=1S/C13H13NO3/c1-17-11-4-2-10(3-5-11)8-9-14-12(15)6-7-13(14)16/h2-7H,8-9H2,1H3

InChI Key:

AXKRZHUMKQPDBD-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)CCN1C(=O)C=CC1=O

Properties

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.251g/mol

Monoisotopic Mass:

231.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors.	Journal of medicinal chemistry 20051117

Properties