HCID59135724

N-(2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl)-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

N-[2-[5-[[2-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

C22H25N5O3S3503.7 g/mol

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IDENTITY

结构与身份

标准 SMILES: CN(c1cccc2cc(C3=NCC(CC4=NN(CCO)CC4)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIKey: BZPLPYPFZMOCEB-UHFFFAOYSA-N
分子式: C22H25N5O3S3
平均分子量: 503.7 g/mol
单同位素质量: 503.1119532

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 163 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 8
重原子: 33
形式电荷: 0
复杂度: 877

ALIASES

名称与别名

共 4 条

N-(2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl)-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl]-N-methylthiophene-2-sulfonamideN-[2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl}-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamideSCHEMBL2668925BZPLPYPFZMOCEB-UHFFFAOYSA-N

REACTIONS