HCID56591699

6-(3-Chloro-4-fluoro-phenyl)-8-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid

6-(3-chloro-4-fluorophenyl)-8-ethyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid

C18H18ClFN2O2348.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)O)nc21
InChIKey: UPSNJJJTMDEWKH-UHFFFAOYSA-N
分子式: C18H18ClFN2O2
平均分子量: 348.8 g/mol
单同位素质量: 348.1040837

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 62.2 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 3
重原子: 24
形式电荷: 0
复杂度: 480

ALIASES

名称与别名

共 4 条

SCHEMBL42946CHEMBL3393143UPSNJJJTMDEWKH-UHFFFAOYSA-N6-(3-chloro-4-fluoro-phenyl)-8-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592594B2

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