uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728030B2
查看![(S)-N-((1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)pyrrolidine-2-carboxamide 分子结构式](/api/mol/58201640/svg/360x280.svg)
HCID58201640
(S)-N-((1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)pyrrolidine-2-carboxamide
(2S)-N-[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]pyrrolidine-2-carboxamide
C29H29FN4O4516.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@H](NC(=O)[C@@H]1CCCN1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2
- InChIKey
- OLDNOFPMRQWVQG-NKLHJNDUSA-N
- 分子式
- C29H29FN4O4
- 平均分子量
- 516.6 g/mol
- 单同位素质量
- 516.21728358
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 86.6 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 799
ALIASES
名称与别名
SCHEMBL836239OLDNOFPMRQWVQG-NKLHJNDUSA-N(S)-N-((1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)pyrrolidine-2-carboxamide
REACTIONS
参与反应
uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143290B2
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