uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637501B2
查看![tert-butyl 10-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridazin-3-yl)pyridin-1(2H)-yl)-5,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylate 分子结构式](/api/mol/66874194/svg/360x280.svg)
HCID66874194
tert-butyl 10-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridazin-3-yl)pyridin-1(2H)-yl)-5,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylate
tert-butyl 8-methyl-5-[2-oxo-4-[6-(trifluoromethyl)pyridazin-3-yl]-1-pyridinyl]-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-12-carboxylate
C27H27F3N6O3540.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)nc31)CCN(C(=O)OC(C)(C)C)CC2
- InChIKey
- HOBXLGNMCVXVFT-UHFFFAOYSA-N
- 分子式
- C27H27F3N6O3
- 平均分子量
- 540.5 g/mol
- 单同位素质量
- 540.20967323
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 93.5 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 1,010
ALIASES
名称与别名
tert-butyl 10-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridazin-3-yl)pyridin-1(2H)-yl)-5,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylateSCHEMBL1005779
REACTIONS
参与反应
uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637501B2
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