144550-06-1 (4-碘-2-(N-(4-甲氧基-6-甲基-1,3,5-噻嗪-2-基氨基甲酰)磺酰基)苯甲酸甲酯,Iodosulfuron Methyl Ester)

CAS号:
144550-06-1
中文名称:
4-碘-2-(N-(4-甲氧基-6-甲基-1,3,5-噻嗪-2-基氨基甲酰)磺酰基)苯甲酸甲酯
英文名称:
Iodosulfuron Methyl Ester
分子式:
C14H14IN5O6S
分子量:
507.260333538055

4-碘-2-(N-(4-甲氧基-6-甲基-1,3,5-噻嗪-2-基氨基甲酰)磺酰基)苯甲酸甲酯(144550-06-1)名称与标识符

名称

中文别名:
4-碘-2-(N-(4-甲氧基-6-甲基-1,3,5-噻嗪-2-基氨基甲酰)磺酰基)苯甲酸甲酯;碘甲磺隆标准品;
英文别名:
Methyl 4-iodo-2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoy L]sulfamoyl}benzoate;AGN-PC-003X3J;ACMC-20mztt;methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate;methyl 4-iodo-2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate;CTK0F1123;3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(2-methoxycarbonyl-5-iodophenyl-sulfonyl)urea;3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-2-oxabicyclo&lt;2.2.2&gt;octane;iodosulfuron-methyl-ester;2-Oxabicyclo[2.2.2]octane, 3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-;iodosulfuron methyl ester;3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octane;Methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-amino]-carbonyl]-amino]-sulfonyl]-4-iodobenzoate;Methyl 4-iodo-2-{N-[N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-aminocarbonyl]aminosulfonyl}benzoate;Iodosulfuron-methyl;2-Oxabic;3-(4-methoxy-4-methylpentyl)-1,3-dimethyl-2-oxabicyclo< 2.2.2> octane;Q63395500;Benzoic acid,4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester;144550-06-1;EC 429-890-2;DTXSID101020557;Methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-4-iodobenzoate;methyl 4-iodo-2-(3-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)ureidosulfonyl)benzoate;SCHEMBL733383;DB-326610;Methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate;SB73514;methyl 4-iodo-2-(N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)benzoate;methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate;METHYL 4-IODO-2-{[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)CARBAMOYL]AMINOSULFONYL}BENZOATE;NS00000651;185119-76-0;CHEMBL3580410;

标识符

MDL:
MFCD04112613
InChIKey:
VWGAYSCWLXQJBQ-UHFFFAOYSA-N
Inchi:
1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)
SMILES:
IC1C=CC(C(=O)OC)=C(C=1)S(NC(NC1N=C(N=C(C)N=1)OC)=O)(=O)=O

4-碘-2-(N-(4-甲氧基-6-甲基-1,3,5-噻嗪-2-基氨基甲酰)磺酰基)苯甲酸甲酯(144550-06-1)物化性质

实验特性

  • PSA : 149.47

计算特性

  • 精确分子量 : 506.97062
  • 氢键供体数量 : 2
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 7
  • 同位素质量 : 506.97095g/mol
  • 重原子数量 : 27
  • 复杂度 : 644
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.2
  • 拓扑分子极性表面积 : 158Ų

4-碘-2-(N-(4-甲氧基-6-甲基-1,3,5-噻嗪-2-基氨基甲酰)磺酰基)苯甲酸甲酯(144550-06-1)推荐厂家 更多厂家(3)

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