2-[methyl-(2-{methyl-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-amino}-ethyl)-amino]-thiazole-4-carboxylic acid methyl-((R)-1 phenyl-ethyl)-amide | 1312828-12-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[methyl-(2-{methyl-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-amino}-ethyl)-amino]-thiazole-4-carboxylic acid methyl-((R)-1 phenyl-ethyl)-amide
• 英文别名: N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
• CAS: 1312828-12-8
• 化学式: C₂₄H₂₉F₃N₆O₂S
• 分子量: 522.594
• InChiKey: ICXFGOGIDGBEFH-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• [EN] PYRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2011076510A1

  公开（公告）日：2011-06-30

  The present invention relates to heterocyclic compounds of formula (I) which have microbiocidal activity, in particular fungicidal activity: formula (I) wherein G1 and G2 are independently O or S; T is -C(R9R10)-, -C(R11)=C(R12)-, -C≡C-, NR13 or O; Y1 and Y2 are independently CR14 or N; Q is -C(=O)-N(R15)-z, -C(=S)-N(R16)-z, -C(=O)-O-z, -N(R17)-C(=O)-z, -N(R18)-C(=S)-z, - N(R19)-C(=O)-O-z or -N(R20)-C(=O)-N(R21)-z, in each case z indicates the bond that is connected to R8; n is 1, 2, 3 or 4 when T is -C(R9R10)-, NR13 or O; n is 1, 2, 3 when T is -C(R11)=C(R12)- or -C≡C-; R1, R2, R3, R4, R11, R12 and R14 each independently are hydrogen, halogen, cyano, C1- C4alkyl, or C1-C4haloalkyl; R5, R13, R15, R16, R17, R18, R19, R20 and R21 each independently are hydrogen, C1- C4alkyl or C1-C4alkoxy; R6 and R7 each independently are hydrogen, halogen, cyano, hydroxy, C1-C4alkyl, C1- C4alkoxy, C1-C4alkylthio, C1-C4haloalkyl, C1-C4haloalkoxy, C1-C4haloalkylthio or together from a carbonyl group (=O); R9 and R10 each independently are hydrogen, halogen, cyano, hydroxy, C1-C4alkyl, C1- C4alkoxy, C1-C4alkylthio, C1-C4haloalkyl, C1-C4haloalkoxy, C1-C4haloalkylthio or together form a carbonyl group (=O); and R8 is phenyl, benzyl or group (a): formula (a) wherein the phenyl, benzyl and group (a) are each optionally substituted with 1 to 3 substituents independently selected from C1-C4 alkyl, C1-C4 haloalkyl, halogen, cyano, hydroxy and amino; or a salt or a N-oxide thereof.

  本发明涉及具有微生物杀灭活性，特别是杀真菌活性的式（I）的杂环化合物：式（I）其中G1和G2分别是O或S; T是-C（R9R10）-，-C（R11）= C（R12）-，-C≡C-，NR13或O; Y1和Y2分别是CR14或N; Q是-C（= O）-N（R15）-z，-C（= S）-N（R16）-z，-C（= O）-O-z，-N（R17）-C（= O）-z，-N（R18）-C（= S）-z，-N（R19）-C（= O）-O-z或-N（R20）-C（= O）-N（R21）-z，在每种情况下，z表示连接到R8的键; 当T为-C（R9R10）-，NR13或O时，n为1、2、3或4; 当T为-C（R11）= C（R12）-或-C≡C-时，n为1、2、3; R1、R2、R3、R4、R11、R12和R14各自独立地是氢、卤素、氰基、C1-C4烷基或C1-C4卤代烷基; R5、R13、R15、R16、R17、R18、R19、R20和R21各自独立地是氢、C1-C4烷基或C1-C4烷氧基; R6和R7各自独立地是氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（=O）的; R9和R10各自独立地是氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（=O）的; R8是苯基，苄基或群（a）：式（a）其中苯基，苄基和群（a）分别可以选自C1-C4烷基，C1-C4卤代烷基，卤素，氰基，羟基和氨基的1到3个独立取代基; 或其盐或N-氧化物。
• PYRAZOLE DERIVATIVES
  申请人：Sulzer Sarah

  公开号：US20120258990A1

  公开（公告）日：2012-10-11

  The present invention relates to heterocyclic compounds of formula (I) which have microbiocidal activity, in particular fungicidal activity: formula (I) wherein G 1 and G 2 are independently O or S; T is —C(R 9 R 10 )—, —C(R 11 )═C(R 12 )—, —C≡C—, NR 13 or O; Y 1 and Y 2 are independently CR 14 or N; Q is —C(═O)—N(R 15 )-z, —C(═S)—N(R 16 )-z, —C(═O)—O-z, —N(R 17 )—C(═O)-z, —N(R 18 )—C(═S)-z, —N(R 19 )—C(═O)—O-z or —N(R 20 )—C(═O)—N(R 21 )-z, in each case z indicates the bond that is connected to R 8 ; n is 1, 2, 3 or 4 when T is —C(R 9 R 10 )—, NR 13 or O; n is 1, 2, 3 when T is —C(R 11 )═C(R 12 )— or —C≡C—; R 1 , R 2 , R 3 , R 4 , R 11 , R 12 and R 14 each independently are hydrogen, halogen, cyano, C 1 -C 4 alkyl, or C 1 -C 4 haloalkyl; R 5 , R 13 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 and R 21 each independently are hydrogen, C 1 -C 4 alkyl or C 1 -C 4 alkoxy; R 6 and R 7 each independently are hydrogen, halogen, cyano, hydroxy, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkylthio, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, C 1 -C 4 haloalkylthio or together from a carbonyl group (═O); R 9 and R 10 each independently are hydrogen, halogen, cyano, hydroxy, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkylthio, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, C 1 -C 4 haloalkylthio or together form a carbonyl group (═O); and R 8 is phenyl, benzyl or group (a): formula (a) wherein the phenyl, benzyl and group (a) are each optionally substituted with 1 to 3 substituents independently selected from C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, halogen, cyano, hydroxy and amino; or a salt or a N-oxide thereof.

  本发明涉及具有微生物杀灭活性，特别是真菌杀灭活性的式（I）的杂环化合物：式（I）其中G1和G2分别为O或S；T为—C(R9R10)—，—C(R11)═C(R12)—，—C≡C—，NR13或O；Y1和Y2分别为CR14或N；Q为—C(═O)—N(R15)-z，—C(═S)—N(R16)-z，—C(═O)—O-z，—N(R17)—C(═O)-z，—N(R18)—C(═S)-z，—N(R19)—C(═O)—O-z或—N(R20)—C(═O)—N(R21)-z，在每种情况下z表示连接到R8的键；n为1、2、3或4，当T为—C(R9R10)—，NR13或O时；n为1、2、3，当T为—C(R11)═C(R12)—或—C≡C—时；R1、R2、R3、R4、R11、R12和R14各自独立地为氢、卤素、氰基、C1-C4烷基或C1-C4卤代烷基；R5、R13、R15、R16、R17、R18、R19、R20和R21各自独立地为氢、C1-C4烷基或C1-C4烷氧基；R6和R7各自独立地为氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（═O）；R9和R10各自独立地为氢、卤素、氰基、羟基、C1-C4烷基、C1-C4烷氧基、C1-C4烷硫基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4卤代烷硫基或一起形成羰基（═O）；而R8为苯基、苄基或基团（a）：式（a）其中苯基、苄基和基团（a）可以各自选自C1-C4烷基、C1-C4卤代烷基、卤素、氰基、羟基和氨基的1至3个取代基；或其盐或N-氧化物。
• US8629286B2
  申请人：——

  公开号：US8629286B2

  公开（公告）日：2014-01-14