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Molecular structure and stereoelectronic properties of herbicide sulphonylureas.

Abstract：

:MO theoretical calculations were used with the aim to investigate the electronic properties of a number of sulphonylureas 1-8 which are employed as antifeedants. Quantum chemical descriptors [electron density, molecular electrostatic potential (MEP), the topology of frontier orbitals and reactivity index] were determined for these compounds, aimed both to obtain a deeper insight in their mechanism of action and to correlate these properties with their activity as inhibitors of ALS synthase.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Galeazzi R,Marucchini C,Orena M,Zadra C

doi

10.1016/s0968-0896(01)00357-1

subject

Has Abstract

pub_date

2002-04-01 00:00:00

pages

1019-24

issue

4

eissn

0968-0896

issn

1464-3391

pii

S0968089601003571

journal_volume

10

pub_type

杂志文章

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