HCID57950375

tert-Butyl 7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

tert-butyl 7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

C17H21BrN2O2365.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c2c(c3ccc(Br)cc31)CN(C(=O)OC(C)(C)C)CC2
InChIKey: IDCBQVLMQMNDSJ-UHFFFAOYSA-N
分子式: C17H21BrN2O2
平均分子量: 365.3 g/mol
单同位素质量: 364.07864

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 34.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 22
形式电荷: 0
复杂度: 437

ALIASES

名称与别名

共 7 条

SCHEMBL3476322SCHEMBL29983586IDCBQVLMQMNDSJ-UHFFFAOYSA-Ntert-butyl 7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2 (5H)-carboxylatetert-Butyl 7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbox-ylatetert-Butyl 7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylatetert-Butyl-7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

REACTIONS