HCID66621194

3-(6-{7-[2-(1-tert-Butoxycarbonyl-pyrrolidin-2-yl)-3H-imidazol-4-yl]-dibenzothiophen-3-yl}-1H-benzoimidazol-2-yl)-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

tert-butyl 3-[6-[7-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzothiophen-3-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

C42H46N6O4S730.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)sc2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc23)[nH]1
InChIKey: NUMFSECXBGKAFI-UHFFFAOYSA-N
分子式: C42H46N6O4S
平均分子量: 730.9 g/mol
单同位素质量: 730.33012514

COMPUTED

结构计算性质

等待补全

XLogP: 8.2
极性表面积: 145 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 53
形式电荷: 0
复杂度: 1,370

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL205879NUMFSECXBGKAFI-UHFFFAOYSA-N3-(6-{7-[2-(1-tert-Butoxycarbonyl-pyrrolidin-2-yl)-3H-imidazol-4-yl]-dibenzothiophen-3-yl}-1H-benzoimidazol-2-yl)-2-aza-bicyclo [2.2.1]heptane-2-carboxylic acid tert-butyl ester3-(6-{7-[2-(1-tert-Butoxycarbonyl-pyrrolidin-2-yl)-3H-imidazol-4-yl]-dibenzothiophen-3-yl}-1H-benzoimidazol-2-yl)-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

REACTIONS