uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08389524B2
查看![(2R)-2-[(4-{[(5-Fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride 分子结构式](/api/mol/68597997/svg/360x280.svg)
HCID68597997
(2R)-2-[(4-{[(5-Fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
(3R)-3-[[4-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;hydrochloride
C24H27ClFN5O4504 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cl.O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2ccc3c(c2F)OCCO3)CC1
- InChIKey
- WGJIQWONWHCMSC-UNTBIKODSA-N
- 分子式
- C24H27ClFN5O4
- 平均分子量
- 504 g/mol
- 单同位素质量
- 503.1735602
COMPUTED
结构计算性质
- 极性表面积
- 86.7 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 930
ALIASES
名称与别名
SCHEMBL3328572WGJIQWONWHCMSC-UNTBIKODSA-N(2R)-2-[(4-{[(5-Fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
REACTIONS
参与反应