Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![9-[4-(3-Chlorophenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide 分子结构式](/api/mol/66823737/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- O=S1(=O)CCN2CCCC(c3ccc(Oc4cccc(Cl)c4)cc3)C2=N1
- InChIKey
- VWJGYRWHMDFKCR-UHFFFAOYSA-N
- 分子式
- C19H19ClN2O3S
- 平均分子量
- 390.9 g/mol
- 单同位素质量
- 390.0804913
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 67.4 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 625
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL869084SCHEMBL29476704VWJGYRWHMDFKCR-UHFFFAOYSA-N9-[4-(3-chlorophenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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