HCID121266719

tert-butyl methyl(3-(4-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)-phenyl)prop-2-ynyl)carbamate

tert-butyl N-methyl-N-[3-[4-[4-(oxan-2-yloxy)benzoyl]phenyl]prop-2-ynyl]carbamate

C27H31NO5449.5 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CN(CC#Cc1ccc(C(=O)c2ccc(OC3CCCCO3)cc2)cc1)C(=O)OC(C)(C)C
InChIKey: DMNABHPWOAWJLR-UHFFFAOYSA-N
分子式: C27H31NO5
平均分子量: 449.5 g/mol
单同位素质量: 449.22022309

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 65.1 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 8
重原子: 33
形式电荷: 0
复杂度: 714

ALIASES

名称与别名

共 4 条

SCHEMBL17666652DMNABHPWOAWJLR-UHFFFAOYSA-Ntert-butyl methyl(3-(4-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)-phenyl)prop-2-ynyl)carbamatetert-butyl methyl(3-(4-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)phenyl)prop-2-ynyl)carbamate

REACTIONS

参与反应

2 条

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09309211B2

查看

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09309211B2

查看