AC1MIXLG
2-phenylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000462|Oprea1_274432|Oprea1_310079|HMS588E22|BAS 00381368|AG-690/09252034|SR-01000397761-1|2-phenylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate|2-phenylethyl 6-(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))-4-methyl-2-oxo-1,3,6-t rihydropyrimidine-5-carboxylate|2-phenylethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate|phenethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate|phenethyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C21H19BrN2O5 |
|---|---|
| Molecular Weight | 458.04773 g/mol |
| LogP | 3.5916 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.04773 |
| Monoisotopic Mass | 458.04773 |
| Heavy Atoms | 29 |
| Complexity | 990.06604 |
Chemical Identifiers
| CAS Number | 299404-65-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC4=CC=CC=C4 |
Product Overview
AC1MIXLG (CAS 299404-65-2), with molecular formula C21H19BrN2O5 and molecular weight 458.04773 g/mol. IUPAC: 2-phenylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.