HCID66742542

2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(5-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-benzyl acetate

[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[5-[[5-[1-(dimethylamino)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]phenyl]methyl acetate

C37H42FN7O5683.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OCc1c(-c2cc(Nc3ccc(OC(C)(C)CN(C)C)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
InChIKey: FVMZPBPDQQNOPO-UHFFFAOYSA-N
分子式: C37H42FN7O5
平均分子量: 683.8 g/mol
单同位素质量: 683.32314563

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 129 Å²
氢键供体: 1
氢键受体: 11
可旋转键: 12
重原子: 50
形式电荷: 0
复杂度: 1,360

ALIASES

名称与别名

共 4 条

SCHEMBL609554FVMZPBPDQQNOPO-UHFFFAOYSA-N2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(5-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-benzyl acetateacetic acid 2-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-{5-[5-(2-dimethylamino-1,1-dimethyl-ethoxy)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl}-benzyl ester

REACTIONS