AC1MFJZU
methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Oprea1_482613|AN-655/13869046|AB00106179-01|methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate|methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate|METHYL 4-(3-ETHOXY-4-HYDROXY-5-IODOPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE|methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C15H17IN2O4S |
|---|---|
| Molecular Weight | 447.9954 g/mol |
| LogP | 2.3613 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.9954 |
| Monoisotopic Mass | 447.9954 |
| Heavy Atoms | 23 |
| Complexity | 690.2996 |
Chemical Identifiers
| CAS Number | 354775-90-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)I)O |
Product Overview
AC1MFJZU (CAS 354775-90-9), with molecular formula C15H17IN2O4S and molecular weight 447.9954 g/mol. IUPAC: methyl 4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.