uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732460B2
查看![1,1-Dimethylethyl {1-[((4R/S)-3,4-difluoro-7-oxo-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-4-yl)methyl]-4-piperidinyl}carbamate 分子结构式](/api/mol/131728167/svg/360x280.svg)
HCID131728167
1,1-Dimethylethyl {1-[((4R/S)-3,4-difluoro-7-oxo-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-4-yl)methyl]-4-piperidinyl}carbamate
tert-butyl N-[1-[(3,5-difluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]carbamate
C21H26F2N4O3420.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)NC1CCN(CC2(F)Cn3c(=O)ccc4ncc(F)c2c43)CC1
- InChIKey
- OSWJDAZZTOCNGG-UHFFFAOYSA-N
- 分子式
- C21H26F2N4O3
- 平均分子量
- 420.5 g/mol
- 单同位素质量
- 420.19729703
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 74.8 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 30
- 形式电荷
- 0
- 复杂度
- 720
ALIASES
名称与别名
OSWJDAZZTOCNGG-UHFFFAOYSA-N1,1-Dimethylethyl {1-[((4R/S)-3,4-difluoro-7-oxo-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-4-yl)methyl]-4-piperidinyl}carbamate
REACTIONS
参与反应
uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732460B2
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