2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-isopropyl-N-methyl-acetamide

HCID 57732382

基本情報

標準SMILES: CCOc1ccc(C(C)(C)C#N)cc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N(C)C(C)C)CC1
InChIKey: DTVREGCXDXSSAN-OIDHKYIRSA-N
分子式: C38H44Cl2N6O3
平均分子量: 703.7 g/mol

名称と識別子

優先名称: 2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-isopropyl-N-methyl-acetamide
IUPAC: 2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[5-(2-cyanopropan-2-yl)-2-ethoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide

名称と別名

SCHEMBL1380623DTVREGCXDXSSAN-OIDHKYIRSA-N2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin 1-yl)-N-isopropyl-N-methyl-acetamide2-(4-{(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-[5-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dihydro-imidazole-1-carbonyl}-piperazin-1-yl)-N-isopropyl-N-methyl-acetamide

データベース識別子

PubChem CID: 57732382

物性

構造計算による物性

XLogP: 6.4
極性表面積: 92.5 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 9
重原子数: 49
形式電荷: 0
複雑度: 1,210