基本情報
- CAS
67599-07-9- 標準SMILES
Cc1ccc(N2C(=O)N(c3ccc(C)c(NC(=O)Oc4c(C)cc(N=O)cc4C)c3)C2=O)cc1NC(=O)Oc1c(C)cc(N=O)cc1C- InChIKey
INSSUWNJBNOSED-UHFFFAOYSA-N- 分子式
- C34H30N6O8
- 平均分子量
- 650.6 g/mol
- 単同位体質量
- 650.21251194
名称と識別子
- 優先名称
- Carbamic acid, N,N'-[(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]bis-, C,C'-bis(2,6-dimethyl-4-nitrosophenyl) ester
- IUPAC
- (2,6-dimethyl-4-nitrosophenyl) N-[5-[3-[3-[(2,6-dimethyl-4-nitrosophenoxy)carbonylamino]-4-methylphenyl]-2,4-dioxo-1,3-diazetidin-1-yl]-2-methylphenyl]carbamate
名称と別名
EINECS 266-755-567599-07-9Carbamic acid, ((2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene))bis-, bis(2,6-dimethyl-4-nitrosophenyl) esterCarbamic acid, N,N'-((2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene))bis-, C,C'-bis(2,6-dimethyl-4-nitrosophenyl) esterCarbamic acid, [(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]bis-, bis(2,6-dimethyl-4-nitrosophenyl) esterCarbamic acid, N,N'-[(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]bis-, C,C'-bis(2,6-dimethyl-4-nitrosophenyl) esterRefChem:123390Bis(2,6-dimethyl-4-nitrophenyl) ((2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene))biscarbamate
データベース識別子
- CAS
67599-07-9- PubChem CID
- 105465
- EC Number
- 266-755-5
- Nikkaji
- J333.212H
物性
構造計算による物性
- XLogP
- 5.9
- 極性表面積
- 176 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 10
- 回転可能結合数
- 8
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,100
化学と産業
用途と製造
General Manufacturing InformationCarbamic acid, N,N'-[(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]bis-, C,C'-bis(2,6-dimethyl-4-nitrosophenyl) ester: ACTIVE
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