HCID11713493

N-[2-({1-[6-(methyloxy)-1,5-naphthyridin-4-yl]-3-pyrrolidinyl}thio)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

N-[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]sulfanylethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C23H25N5O4S3531.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc2nccc(N3CCC(SCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1
InChIKey: JDUNOTDHYCPVRT-UHFFFAOYSA-N
分子式: C23H25N5O4S3
平均分子量: 531.7 g/mol
单同位素质量: 531.10686782

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 173 Å²
氢键供体: 2
氢键受体: 10
可旋转键: 8
重原子: 35
形式电荷: 0
复杂度: 844

ALIASES

名称与别名

共 4 条

CHEMBL589049SCHEMBL3162871JDUNOTDHYCPVRT-UHFFFAOYSA-NN-[2-({1-[6-(methyloxy)-1,5-naphthyridin-4-yl]-3-pyrrolidinyl}thio)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07648984B2

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