uspto-grants-2001_05 · 10.6084/m9.figshare.5104873.v1 · US06235731B1
查看![N-[1-[3-(2-methoxycarbonylphenoxy)propan-1-yl]piperidin-4-yl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride 分子结构式](/api/mol/21994086/svg/360x280.svg)
HCID21994086
N-[1-[3-(2-methoxycarbonylphenoxy)propan-1-yl]piperidin-4-yl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
methyl 2-[3-[4-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carbonylamino)piperidin-1-yl]propoxy]benzoate;dihydrochloride
C26H30Cl2N4O4S565.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1ccccc1OCCCN1CCC(NC(=O)C2=Cc3cnc4cccc(n34)S2)CC1.Cl.Cl
- InChIKey
- ZXZRWSRLUYSDME-UHFFFAOYSA-N
- 分子式
- C26H30Cl2N4O4S
- 平均分子量
- 565.5 g/mol
- 单同位素质量
- 564.136482
COMPUTED
结构计算性质
- 极性表面积
- 110 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 787
ALIASES
名称与别名
SCHEMBL7986211ZXZRWSRLUYSDME-UHFFFAOYSA-NN-[1-[3-(2-methoxycarbonylphenoxy)propan-1-yl]piperidin-4-yl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide dihydrochloride
REACTIONS
参与反应