HIT ID: HIT212067452
Cas No: 139481-44-0
分子式: C25H21N3O3
分子量: 411.461
常用名: Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
常用名: Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 5.597838390333333
IUPAC: methyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate
IUPAC: methyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate
SMILES: CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1C#N
SMILES: CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1C#N
InChI key: KSXLHOFDCDKQLH-UHFFFAOYSA-N
