HCID59136154

ethyl{[2-(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)ethyl]thio}acetate

ethyl 2-[2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethylsulfanyl]acetate

C22H25N3O4S4523.7 g/mol

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IDENTITY

结构与身份

标准 SMILES: CCOC(=O)CSCCC1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)S1
InChIKey: VCDXTAODRKSPJL-UHFFFAOYSA-N
分子式: C22H25N3O4S4
平均分子量: 523.7 g/mol
单同位素质量: 523.07279098

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 179 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 11
重原子: 33
形式电荷: 0
复杂度: 819

ALIASES

名称与别名

共 4 条

SCHEMBL2668666VCDXTAODRKSPJL-UHFFFAOYSA-Nethyl {[2-(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)ethyl]thio}acetateethyl{[2-(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)ethyl]thio}acetate

REACTIONS