HCID178451658

2-({2-[(isoquinoline-3-carbonyl)-amino]-3H-benzoimidazole-4-carbonyl}-amino)-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester

tert-butyl 2-[[2-(isoquinoline-3-carbonylamino)-1H-benzimidazole-4-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C29H27N7O4S569.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc4nc(NC(=O)c5cc6ccccc6cn5)[nH]c34)sc2C1
InChIKey: LJNMREZVRQKMPX-UHFFFAOYSA-N
分子式: C29H27N7O4S
平均分子量: 569.6 g/mol
单同位素质量: 569.18452354

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 170 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 6
重原子: 41
形式电荷: 0
复杂度: 995

ALIASES

名称与别名

共 4 条

SCHEMBL1201423SCHEMBL12845748LJNMREZVRQKMPX-UHFFFAOYSA-N2-({2-[(isoquinoline-3-carbonyl)-amino]-3H-benzoimidazole-4-carbonyl}-amino)-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester

REACTIONS