AC1L4BQ9
4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
Also Known As: 1H-Imidazole-2-carboxamide, 4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((4-(2-methoxy-1-aziridinyl)butyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-|4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide|4-{4-[Bis(2-chloroethyl)amino]benzamido}-N-{2-[(2-{[4-(2-methoxyaziridin-1-yl)butyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}-1-methyl-1H-imidazole-2-carboxamide|Siloxanes and Silicones, di-Me, 3-(3,4-dimethoxyphenyl)propyl Me, 3-hydroxypropyl Me, ethoxylated
| Molecular Formula | C33H42Cl2N12O5 |
|---|---|
| Molecular Weight | 756.27783 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 756.27783 |
| Monoisotopic Mass | 756.27783 |
| Heavy Atoms | 52 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 200424-80-2 |
|---|---|
| SMILES | CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCCCN4CC4OC)C)C)NC(=O)C5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | PRJNUCWWJXFGCQ-UHFFFAOYSA-N |
Product Overview
AC1L4BQ9 (CAS 200424-80-2), with molecular formula C33H42Cl2N12O5 and molecular weight 756.27783 g/mol. IUPAC: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide.