Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看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
- 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
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
uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看