AC1OAJBK
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione|(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione|5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione|5-[1-(benzo[1,3]dioxol-5-ylmethylamino)ethylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H16ClN3O5 |
|---|---|
| Molecular Weight | 413.07785 g/mol |
| LogP | 2.6227 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.07785 |
| Monoisotopic Mass | 413.07785 |
| Heavy Atoms | 29 |
| Complexity | 1228.3446 |
Chemical Identifiers
| CAS Number | 579446-49-4 |
|---|---|
| SMILES | CC(=NCC1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
AC1OAJBK (CAS 579446-49-4), with molecular formula C20H16ClN3O5 and molecular weight 413.07785 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione.