5-Ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline 分子结构式
HCID59453003

5-Ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline

5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline

C19H32N4O3S396.5 g/molCAS 1089282-91-6

IDENTITY

结构与身份

标准SMILES
CCc1cc(N)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1
InChIKey
TUCFDPPRLPSXFQ-UHFFFAOYSA-N
分子式
C19H32N4O3S
平均分子量
396.5 g/mol
单同位素质量
396.21951207

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
87.5 Ų
氢键供体
1
氢键受体
7
可旋转键
5
重原子
27
形式电荷
0
复杂度
566

ALIASES

名称与别名

共 18 条
1089282-91-65-ethyl-2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline5-ETHYL-4-[4-(4-METHANESULFONYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]-2-METHOXYANILINESCHEMBL311308C19H32N4O3STUCFDPPRLPSXFQ-UHFFFAOYSA-NDTXSID701129963CS-M1014MFCD18642952AKOS037649845CS-13764DB-100319C117535-ethyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}aniline5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)-1-piperidyl]aniline5-Ethyl-2-methoxy-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]benzenamine5-Ethyl-4-{4-[4-(methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyaniline

REACTIONS

参与反应

9
HRID 295464 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看
HRID 419599 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2

查看
HRID 419600 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2

查看
HRID 419651 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2

查看
HRID 419652 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2

查看
HRID 419662 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2

查看
HRID 1147702 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看
HRID 1204000 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看