uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09273077B2
查看![6-chloro-N3-{2-methoxy-4-[4-(4-methyl-4-oxido-1,4-azaphosphinan-1-yl)piperidin-1-yl]phenyl}-N5-[2-(propan-2-ylsulfonyl)phenyl]-1,2,4-triazine-3,5-diamine 分子结构式](/api/mol/86668836/svg/360x280.svg)
HCID86668836
6-chloro-N3-{2-methoxy-4-[4-(4-methyl-4-oxido-1,4-azaphosphinan-1-yl)piperidin-1-yl]phenyl}-N5-[2-(propan-2-ylsulfonyl)phenyl]-1,2,4-triazine-3,5-diamine
6-chloro-3-N-[2-methoxy-4-[4-(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)piperidin-1-yl]phenyl]-5-N-(2-propan-2-ylsulfonylphenyl)-1,2,4-triazine-3,5-diamine
C29H39ClN7O4PS648.2 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(N2CCC(N3CCP(C)(=O)CC3)CC2)ccc1Nc1nnc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
- InChIKey
- SCIFWNKCJQWNCH-UHFFFAOYSA-N
- 分子式
- C29H39ClN7O4PS
- 平均分子量
- 648.2 g/mol
- 单同位素质量
- 647.2210386
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 138 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 9
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,050
ALIASES
名称与别名
SCHEMBL1493627SCIFWNKCJQWNCH-UHFFFAOYSA-N6-chloro-N3-{2-methoxy-4-[4-(4-methyl-4-oxido-1,4-azaphosphinan-1-yl)piperidin-1-yl]phenyl}-N5-[2-(propan-2-ylsulfonyl)phenyl]-1,2,4-triazine-3,5-diamine
REACTIONS
参与反应
uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09012462B2
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