HRID886321
uspto-grants-2012_08
作为生成物
uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08242104B2
查看条件与参与物HCID58204682
4-[2-(2-Isopropyl-5-methoxymethyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
tert-butyl 4-[2-[5-(methoxymethyl)-2-propan-2-yl-1,2,4-triazol-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
C28H36N6O4520.6 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- COCc1nc(-c2cn3c(n2)-c2ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc2OCC3)n(C(C)C)n1
- InChIKey
- FCVNWPAHXBNZHM-UHFFFAOYSA-N
- 分子式
- C28H36N6O4
- 平均分子量
- 520.6 g/mol
- 单同位素质量
- 520.27980365
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 96.5 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 863
ALIASES
名称与别名
SCHEMBL1485195FCVNWPAHXBNZHM-UHFFFAOYSA-N4-[2-(2-Isopropyl-5-methoxymethyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
REACTIONS
参与反应
HRID886322
uspto-grants-2012_08
作为反应物
uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08242104B2
查看条件与参与物HRID959284
Validation data from https://doi.org/10.1039/C8SC04228D
作为反应物
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1498380
uspto-grants-2015_12
作为生成物
uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09198918B2
查看条件与参与物HRID1498381
uspto-grants-2015_12
作为反应物
uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09198918B2
查看条件与参与物HRID1629350
uspto-grants-2014_07
作为生成物
uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785626B2
查看条件与参与物HRID1629351
uspto-grants-2014_07
作为反应物
uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785626B2
查看条件与参与物HRID1800144
uspto-grants-2013_01
作为生成物
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08343955B2
查看条件与参与物