uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732434B2
查看![9-Amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentaazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),2,5,8,12,14,23,27,30,32-decaene-7,17-dione 分子结构式](/api/mol/178435148/svg/360x280.svg)
HCID178435148
9-Amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentaazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),2,5,8,12,14,23,27,30,32-decaene-7,17-dione
9-amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),2,5,9,12,14,23,27,30,32-decaene-7,17-dione
C27H28Cl2N6O3S587.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1snc2c1C(=O)N=C(N)NCc1cc(Cl)c(c(Cl)c1)NC(=O)CNCCCC=CCOc1ccc-2cc1
- InChIKey
- OUFIQNVCUPPQOU-UHFFFAOYSA-N
- 分子式
- C27H28Cl2N6O3S
- 平均分子量
- 587.5 g/mol
- 单同位素质量
- 586.1320653
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 159 Ų
- 氢键供体
- 4
- 氢键受体
- 7
- 可旋转键
- 0
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 876
ALIASES
名称与别名
SCHEMBL8231330OUFIQNVCUPPQOU-UHFFFAOYSA-N9-Amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentaazatetracyclo[25.2.2.212,15.02,6] tritriaconta-1(29),2,5,8,12,14,23,27,30,32-decaene-7,17-dione9-Amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentaazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),2,5,8,12,14,23,27,30,32-decaene-7,17-dione
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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