AC1NSH5K
[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
Also Known As: BAS 00490148|3-[2-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)carbonohydrazonoyl]phenyl benzoate|[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate|3-[(E)-{2-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenyl benzoate|3-{(1E)-2-[(4,6-dimorpholin-4-yl(1,3,5-triazin-2-yl))amino]-2-azavinyl}phenyl benzoate|3-[(E)-{2-[4,6-Bis(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenyl benzoate
| Molecular Formula | C25H27N7O4 |
|---|---|
| Molecular Weight | 489.21246 g/mol |
| LogP | 2.21 |
| Topological Polar Surface Area | 114.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.21246 |
| Monoisotopic Mass | 489.21246 |
| Heavy Atoms | 36 |
| Complexity | 1159.772 |
Chemical Identifiers
| CAS Number | 5488-74-4 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4)N5CCOCC5 |
Product Overview
AC1NSH5K (CAS 5488-74-4), with molecular formula C25H27N7O4 and molecular weight 489.21246 g/mol. IUPAC: [3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate.