1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-(2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-diphenyl-, perchlorate (1:1)
基本情報
- CAS
63816-06-8- 標準SMILES
CCn1c(C)c(/C=C/C2N(c3ccccc3)c3nc4ccc(Cl)cc4nc3N2c2ccccc2)c(=O)n1-c1ccccc1.[O-][Cl+3]([O-])([O-])O- InChIKey
CXKNWSPBCJLKBW-QPNALZDCSA-N- 分子式
- C35H30Cl2N6O5
- 平均分子量
- 685.6 g/mol
- 単同位体質量
- 684.1654735
名称と識別子
- 優先名称
- 1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-(2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-diphenyl-, perchlorate (1:1)
- IUPAC
- 4-[(E)-2-(6-chloro-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-2-yl)ethenyl]-1-ethyl-5-methyl-2-phenylpyrazol-3-one;perchloric acid
名称と別名
EINECS 264-487-31H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-(2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-diphenyl-, perchlorate1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-(2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-diphenyl-, perchlorate (1:1)63816-06-81H-Imidazo[4,5-b]quinoxalinium, 6-chloro-2-[2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl]-1,3-diphenyl-, perchlorate (1:1)RefChem:797556-Chloro-2-(2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)vinyl)-1,3-diphenyl-1H-imidazo(4,5-b)quinoxalinium perchlorate
データベース識別子
- CAS
63816-06-8- PubChem CID
- 6441914
- EC Number
- 264-487-3
物性
構造計算による物性
- 極性表面積
- 127 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,160
化学と産業
用途と製造
General Manufacturing Information1H-Imidazo[4,5-b]quinoxalinium, 6-chloro-2-[2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl]-1,3-diphenyl-, perchlorate (1:1): INACTIVE
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