uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822456B2
查看![methyl 3-[rel-(4aR,6R,8aS)-2-(benzoylamino)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-4-fluorobenzoate 分子结构式](/api/mol/90209264/svg/360x280.svg)
HCID90209264
methyl 3-[rel-(4aR,6R,8aS)-2-(benzoylamino)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-4-fluorobenzoate
methyl 3-[(4aR,6R,8aS)-2-benzamido-6-(1-methylpyrazol-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorobenzoate
C26H25FN4O4S508.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1ccc(F)c([C@]23CO[C@@H](c4cnn(C)c4)C[C@H]2CSC(NC(=O)c2ccccc2)=N3)c1
- InChIKey
- AOJKEBXHGCAVBF-WSNOQYBDSA-N
- 分子式
- C26H25FN4O4S
- 平均分子量
- 508.6 g/mol
- 单同位素质量
- 508.15805463
COMPUTED
结构计算性质
- XLogP
- 3.2
- 极性表面积
- 120 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 856
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL15783628AOJKEBXHGCAVBF-WSNOQYBDSA-Nmethyl 3-[rel-(4aR,6R,8aS)-2-(benzoylamino)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-4-fluorobenzoate
REACTIONS
