HCID68679822

Methyl 2-[4-(4-fluorophenoxy)benzenesulfonyl]-6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylate

methyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-6-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate

C23H20FNO6S457.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIKey: CSDDONFCHKCRDF-UHFFFAOYSA-N
分子式: C23H20FNO6S
平均分子量: 457.5 g/mol
单同位素质量: 457.09953669

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 102 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 6
重原子: 32
形式电荷: 0
复杂度: 742

ALIASES

名称与别名

共 4 条

SCHEMBL3534006CSDDONFCHKCRDF-UHFFFAOYSA-NMethyl 2-[4-(4-fluorophenoxy)benzenesulfonyl]-6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylatemethyl 2-[4-(4-fluorophenoxy)benzenesulfonyl]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxlate

REACTIONS

参与反应

9 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID207944

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID673520

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID2265877

uspto-grants-2010_12

作为反应物