Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看![1-[1-(4-Amino-2-chlorophenyl)piperidin-4-yl]-1,4-dihydro-2H-3,1-benzoxazin-2-one 分子结构式](/api/mol/22644680/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Nc1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c(Cl)c1
- InChIKey
- QDDCUHGRFPOGND-UHFFFAOYSA-N
- 分子式
- C19H20ClN3O2
- 平均分子量
- 357.8 g/mol
- 单同位素质量
- 357.1244046
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 58.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 483
ALIASES
名称与别名
SCHEMBL6868189QDDCUHGRFPOGND-UHFFFAOYSA-N1-[1-(4-Amino-2-chlorophenyl)piperidin-4-yl]-1,4-dihydro-2H-3,1-benzoxazin-2-one
REACTIONS
参与反应
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 (7/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看
uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06812226B2
查看
uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06812226B2
查看
uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06812226B2
查看
uspto-grants-2004_11 · 10.6084/m9.figshare.5104873.v1 · US06812226B2
查看