uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09346795B2
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HCID71062259
1-(2-(3-Bromo-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)-4-(naphthalen-2-ylsulfonylcarbamoyl)phenyl)-N,N-dibutyl-4-chloro-5-methyl-1H-pyrazole-3-carboxamide
1-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-(naphthalen-2-ylsulfonylcarbamoyl)phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide
C39H40BrClN6O5S820.2 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)N2CCc3ncc(Br)cc3C2)c(C)c1Cl
- InChIKey
- QPFUBPGLRIEGSE-UHFFFAOYSA-N
- 分子式
- C39H40BrClN6O5S
- 平均分子量
- 820.2 g/mol
- 单同位素质量
- 818.16528
COMPUTED
结构计算性质
- XLogP
- 7.5
- 极性表面积
- 143 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 12
- 重原子
- 53
- 形式电荷
- 0
- 复杂度
- 1,380
ALIASES
名称与别名
SCHEMBL14061163QPFUBPGLRIEGSE-UHFFFAOYSA-N1-(2-(3-Bromo-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)-4-(naphthalen-2-ylsulfonylcarbamoyl)phenyl)-N,N-dibutyl-4-chloro-5-methyl-1H-pyrazole-3-carboxamide
REACTIONS
相关反应