HCID86702902

4-(adamantan-1-ylmethoxy)-5-cyclopropyl-2-fluoro-N-((2-methoxyethyl)sulfonyl)benzamide

4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-(2-methoxyethylsulfonyl)benzamide

C24H32FNO5S465.6 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: COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
InChIKey: AADZPNRBAZVGNN-UHFFFAOYSA-N
分子式: C24H32FNO5S
平均分子量: 465.6 g/mol
单同位素质量: 465.19852246

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 90.1 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 9
重原子: 32
形式电荷: 0
复杂度: 766

ALIASES

名称与别名

共 7 条

CHEMBL3657840SCHEMBL15536421AADZPNRBAZVGNN-UHFFFAOYSA-NBDBM145270US8952169, 494-(adamantan-1-ylmethoxy)-5-cyclopropyl-2-fluoro-N-((2-methoxyethyl)-sulfonyl)benzamide4-(adamantan-1-ylmethoxy)-5-cyclopropyl-2-fluoro-N-((2-methoxyethyl)sulfonyl)benzamide

REACTIONS