Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNS(=O)(=O)c2ccc(F)cc2)c1
- InChIKey
- HWOSAPSPFDPFFO-UHFFFAOYSA-N
- 分子式
- C29H23Cl2FN2O6S
- 平均分子量
- 617.5 g/mol
- 单同位素质量
- 616.0637912
COMPUTED
结构计算性质
- XLogP
- 5.9
- 极性表面积
- 119 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 11
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 969
ALIASES
名称与别名
SCHEMBL2975299HWOSAPSPFDPFFO-UHFFFAOYSA-Nmethyl 2-(4-(4-(3,4-dichlorobenzamido)phenoxy)-3-((4-fluorophenyl-sulfonamido)methyl)phenyl)acetate
REACTIONS
参与反应
uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492437B2
查看uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492437B2
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183289B2
查看uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183289B2
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