Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)C1CCNCC1
- InChIKey
- AAIBUZDCZCAECX-UHFFFAOYSA-N
- 分子式
- C17H22N4O3S
- 平均分子量
- 362.4 g/mol
- 单同位素质量
- 362.14126175
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 108 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 4
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 457
ALIASES
名称与别名
SCHEMBL1255331AAIBUZDCZCAECX-UHFFFAOYSA-NN-[4-(2-Furyl)-5-morpholinothiazol-2-yl]piperidine-4-carboxamide
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889718B2
查看uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889718B2
查看uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889718B2
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07880013B2
查看uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07880013B2
查看