HCID131731974

Tert-butyl[2-(3-butoxy-3-o-tolyl-azetidin-1-yl)-1-(2-hydroxy-4-methoxybenzyl)-2-oxo-ethyl]carbamate

tert-butyl N-[1-[3-butoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(2-hydroxy-4-methoxyphenyl)-1-oxopropan-2-yl]carbamate

C29H40N2O6512.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2O)NC(=O)OC(C)(C)C)C1
InChIKey: SMEOWDANAAQGEJ-UHFFFAOYSA-N
分子式: C29H40N2O6
平均分子量: 512.6 g/mol
单同位素质量: 512.288637

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 97.3 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 12
重原子: 37
形式电荷: 0
复杂度: 747

ALIASES

名称与别名

共 4 条

SMEOWDANAAQGEJ-UHFFFAOYSA-Ntert-butyl [2-(3-butoxy-3-o-tolylazetidin-1-yl)-1-(2-hydroxy-4-methoxybenzyl)-2-oxoethyl]carbamatetert-butyl[2-(3-butoxy-3-o-tolyl-azetidin-1-yl)-1-(2-hydroxy-4-methoxybenzyl)-2-oxo-ethyl]carbamatetert-butyl[2-(3-butoxy-3-o-tolylazetidin-1-yl)-1-(2-hydroxy-4-methoxybenzyl)-2-oxoethyl]carbamate

REACTIONS

参与反应

2 条

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871187B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871187B2

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