uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08017610B2
查看![t-Butyl 2-{3-[4-(methoxycarbonyl)phenoxy]-5-[(1S)-2-methoxy-1-methylethoxy]phenyl}-5-(1,3-thiazol-2-yl)-1H-pyrrole-1-carboxylate 分子结构式](/api/mol/66683331/svg/360x280.svg)
HCID66683331
t-Butyl 2-{3-[4-(methoxycarbonyl)phenoxy]-5-[(1S)-2-methoxy-1-methylethoxy]phenyl}-5-(1,3-thiazol-2-yl)-1H-pyrrole-1-carboxylate
tert-butyl 2-[3-(4-methoxycarbonylphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-5-(1,3-thiazol-2-yl)pyrrole-1-carboxylate
C30H32N2O7S564.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC[C@H](C)Oc1cc(Oc2ccc(C(=O)OC)cc2)cc(-c2ccc(-c3nccs3)n2C(=O)OC(C)(C)C)c1
- InChIKey
- GQBXQIOMAPKAED-IBGZPJMESA-N
- 分子式
- C30H32N2O7S
- 平均分子量
- 564.7 g/mol
- 单同位素质量
- 564.19302254
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 126 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 12
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 831
ALIASES
名称与别名
SCHEMBL428310GQBXQIOMAPKAED-IBGZPJMESA-Nt-Butyl 2-{3-[4-(methoxycarbonyl)phenoxy]-5-[(1S)-2-methoxy-1-methylethoxy]phenyl}-5-(1,3-thiazol-2-yl)-1H-pyrrole-1-carboxylate
REACTIONS
