HCID69001059

1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

tert-butyl 4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C23H24BrN3O4S518.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CC=C(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1
InChIKey: HXCDOKHOBCCCGJ-UHFFFAOYSA-N
分子式: C23H24BrN3O4S
平均分子量: 518.4 g/mol
单同位素质量: 517.06709

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 89.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 32
形式电荷: 0
复杂度: 829

ALIASES

名称与别名

共 8 条

SCHEMBL4318186HXCDOKHOBCCCGJ-UHFFFAOYSA-NDB-1738681,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1 (2H)-pyridinecarboxylate1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate942920-20-9Tert-butyl 4-(4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydropyridine-1(2h)-carboxylatetert-butyl 4-(4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

REACTIONS