uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09034866B2
查看![(R)-N3-(3-fluorobenzyl)-10-(3-hydroxy-3-(5-methylisoxazol-3-yl)but-1-yn-1-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2,3-dicarboxamide 分子结构式](/api/mol/86693304/svg/360x280.svg)
HCID86693304
(R)-N3-(3-fluorobenzyl)-10-(3-hydroxy-3-(5-methylisoxazol-3-yl)but-1-yn-1-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2,3-dicarboxamide
3-N-[(3-fluorophenyl)methyl]-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-ynyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
C28H24FN5O5529.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NCc4cccc(F)c4)n2CCO3)no1
- InChIKey
- LADQLGACPNZYLX-MUUNZHRXSA-N
- 分子式
- C28H24FN5O5
- 平均分子量
- 529.5 g/mol
- 单同位素质量
- 529.17614705
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 146 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 988
ALIASES
名称与别名
CHEMBL4110728SCHEMBL15193424LADQLGACPNZYLX-MUUNZHRXSA-NBDBM159236US9034866, 713(R)-N3-(3-fluorobenzyl)-10-(3-hydroxy-3-(5-methylisoxazol-3-yl)but-1-yn-1-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2,3-dicarboxamide
REACTIONS
参与反应