uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05621105
查看![7-(1-Tert-butoxycarbonylaminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-1-cyclopropyl-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid 分子结构式](/api/mol/19960958/svg/360x280.svg)
HCID19960958
7-(1-Tert-butoxycarbonylaminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-1-cyclopropyl-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
7-[6a-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
C25H28F3N3O6523.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)NCC12CN(c3c(F)c(F)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC1CCO2
- InChIKey
- UCFDNQGJIOIWBN-UHFFFAOYSA-N
- 分子式
- C25H28F3N3O6
- 平均分子量
- 523.5 g/mol
- 单同位素质量
- 523.19302011
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 108 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 1,000
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL8922989UCFDNQGJIOIWBN-UHFFFAOYSA-N7-(1-tert-butoxycarbonylaminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-1-cyclopropyl-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
REACTIONS
