6626-75-1 (ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate,Ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate)

CAS号:
6626-75-1
中文名称:
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
英文名称:
Ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
分子式:
C13H9Cl2NO
分子量:
266.122661352158

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate(6626-75-1)名称与标识符

名称

中文别名:
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate;
英文别名:
Ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate;benzoic acid-(2,5-dichloro-anilide);2,4-Dichlor-benzanilid;2',5'-Dichlorobenzanilide;3-thiophenecarboxylic acid, 5-[[(3-chloro-4-methylphenyl)amino]carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-, ethyl ester;N-Benzoyl-2,5-dichlor-anilin;Benzoesaeure-(2,5-dichlor-anilid);benzoic acid-(2,5-dichloro-anilide); 2,4-Dichlor-benzanilid; 2',5'-Dichlorobenzanilide; 3-thiophenecarboxylic acid, 5-[[(3-chloro-4-methylphenyl)amino]carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-, ethyl ester; N-Benzoyl-2,5-dichlor-anilin; Benzoesaeure-(2,5-dichlor-anilid);;N-(2,5-Dichlorophenyl)benzamide;SCHEMBL8819672;AKOS000609650;2,5-Dichlorobenzanilide;NCIOpen2_002823;DTXSID10984781;BRN 2809576;NSC58283;6626-75-1;STK076906;NSC-58283;N-(2,5-Dichlorophenyl)benzenecarboximidic acid;NSC 58283;Benzanilide, 2',5'-dichloro-;Benzamide, N-(2,5-dichlorophenyl)-;

标识符

InChIKey:
FUNVESSXWQPDQU-UHFFFAOYSA-N
Inchi:
1S/C13H9Cl2NO/c14-10-6-7-11(15)12(8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
SMILES:
ClC1C=CC(=CC=1NC(C1C=CC=CC=1)=O)Cl

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate(6626-75-1)物化性质

实验特性

  • LogP : 4.31870
  • PSA : 84.5

计算特性

  • 精确分子量 : 474.0818
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 265.0061193g/mol
  • 重原子数量 : 17
  • 复杂度 : 266
  • 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) : 4.4
  • 拓扑分子极性表面积 : 29.1Ų

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate(6626-75-1)相关文献