Comparative Molecular Field Analyses (CoMFA) Models and Their Selectivity for the Herbicidal Activities of New Novel 2-(4-chloro-5-(2-chloroallyloxy)-2-fluorophenyl)-3-thioalkoxy- 2,3,4,5,6,7-hexahydroisoindol-1-one Derivatives

• Published in: Hanʼguk Ŭngyong Saengmyŏng Hwahakhoe chi Vol. 48; no. 4
• Main Authors: Sung, N.D. (Chungnam National University, Daejeon, Republic of Korea), E-mail: [e-mail], Kang, E.K. (Chungnam National University, Daejeon, Republic of Korea), Song, J.H. (Korea Research Institute of Chemical Technology, Daejeon, Republic of Korea), Jung, H.S. (Chungnam National University, Daejeon, Republic of Korea)
• Format: Journal Article
• Language: Korean
• Published: 01-12-2005
• Subjects: 2-(4-chloro-5-(2-chloroallyloxy)- 2-fluorophenyl)-3-thioalkoxy-2,3,4,5,6,7-hexahydroisoindol-1-ones; Barnyardgrass (Echinochloa crus-galli); HERBICIDAS; HERBICIDE; HERBICIDES; rice plant (Orysa sativa L.); selective herbicidal activity
• ISSN: 1738-2203

The comparative molecular field analyses (CoMFA) models for the herbicidal activities against barnyardgrass (Echinochloa crus-galli) and rice plant (Orysa sativa L.) by the substituent (R) on the hexahydroisoindol-1-one ring in a series of new 2-(4-chloro-5-(2-chloroallyloxy)-2-fluorophenyl)- 3-thioalkoxy-2,3,4,5,6,7-hexahydroisoindol-1-one derivatives were conducted and discussed for selectivity between both plants. The statistical results of the two best models (B2 and R7) showed the best predictability for the herbicidal activities based on the cross-validated value q² (r²cv. = 0.529~0.755) and none cross-validated value (r²∧ncv.= 0.937~0.945), respectively.