uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09156831B2
查看![(2S)-1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]-1-piperidyl]-2,3-dihydroxy-propan-1-one 分子结构式](/api/mol/86727676/svg/360x280.svg)
HCID86727676
(2S)-1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]-1-piperidyl]-2,3-dihydroxy-propan-1-one
(2S)-1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
C22H31N9O4485.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCn1nc(C2CCN(C(=O)[C@@H](O)CO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1
- InChIKey
- URNSXQYERGOJHT-AWEZNQCLSA-N
- 分子式
- C22H31N9O4
- 平均分子量
- 485.5 g/mol
- 单同位素质量
- 485.2499005
COMPUTED
结构计算性质
- XLogP
- -0.5
- 极性表面积
- 182 Ų
- 氢键供体
- 3
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 718
ALIASES
名称与别名
CHEMBL3922524SCHEMBL15878613URNSXQYERGOJHT-AWEZNQCLSA-NBDBM185363US9156831, 10(2S)-1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]-1-piperidyl]-2,3-dihydroxy-propan-1-one
REACTIONS
参与反应