基本情報
- CAS
147056-67-5- 標準SMILES
CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cn1C- InChIKey
QTDSAAJVUBUGHT-UHFFFAOYSA-N- 分子式
- C30H38Cl2N12O4
- 平均分子量
- 701.6 g/mol
- 単同位体質量
- 700.2516031
名称と識別子
- 優先名称
- 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
- IUPAC
- 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
- 英語名
- 4-[[4-[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-imidazo le-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-N-(2-dimethy laminoethyl)-1-methyl-imidazole-2-carboxamide
- 分子式
- C30H38Cl2N12O4
- 分子量
- 701.61
名称と別名
147056-67-54-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamideCHEMBL81217DTXSID201635854-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide4-{4-[Bis(2-chloroethyl)amino]benzamido}-N-{2-[(2-{[2-(dimethylamino)ethyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}-1-methyl-1H-imidazole-2-carboxamide4-[[4-[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-imidazo le-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-N-(2-dimethy laminoethyl)-1-methyl-imidazole-2-carboxamide1H-Imidazole-2-carboxamide, 4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 176 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 15
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,090
化学と産業
サプライヤー2 社
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…