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结构：CC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2[N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1
HCID474076

1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-, carbamate (ester)

2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethyl carbamate

C22H22Cl2N4O4S509.4 g/molCAS 178980-65-9
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IDENTITY

结构与身份

标准 SMILES
CC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2[N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1
InChIKey
JVHHGHBQARABNY-UHFFFAOYSA-N
分子式
C22H22Cl2N4O4S
平均分子量
509.4 g/mol
单同位素质量
508.0738818

COMPUTED

结构计算性质

已同步
XLogP
5.9
极性表面积
141 Ų
氢键供体
1
氢键受体
6
可旋转键
9
重原子
33
形式电荷
0
复杂度
661

ALIASES

名称与别名

共 9 条
178980-65-91H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-nitrophenyl)methyl]-, carbamate (ester)SCHEMBL6960943DTXSID50170742JVHHGHBQARABNY-UHFFFAOYSA-N2-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(o-nitrobenzyl)-1h-imidazole2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(2-nitrophenyl)methyl]imidazol-2-yl]ethyl carbamate2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(2-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate

REACTIONS

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂