uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2
查看![{1-[2-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-4-(2,2,2-trifluoro-ethyl)-piperazine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester 分子结构式](/api/mol/66621437/svg/360x280.svg)
HCID66621437
{1-[2-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-4-(2,2,2-trifluoro-ethyl)-piperazine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester
methyl N-[1-[2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
C22H28BrF3N4O5565.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)NC(C(=O)N1CCN(CC(F)(F)F)CC1C(=O)NCC(=O)c1ccc(Br)cc1)C(C)C
- InChIKey
- APMFGMCAOPJDDL-UHFFFAOYSA-N
- 分子式
- C22H28BrF3N4O5
- 平均分子量
- 565.4 g/mol
- 单同位素质量
- 564.11952
COMPUTED
结构计算性质
- XLogP
- 3.2
- 极性表面积
- 108 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 775
物化、安全与法规信息正在同步。
ALIASES
名称与别名
{1-[2-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-4-(2,2,2-trifluoro-ethyl)-piperazine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl esterSCHEMBL206766
REACTIONS
