AC1MGQ3I
methyl 4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 05882001|AK-968/40727141|methyl 4-[4-(allyloxy)-3-chloro-5-ethoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate|methyl 4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate|methyl 4-(4-(allyloxy)-3-chloro-5-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|methyl 4-[3-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H21ClN2O5 |
|---|---|
| Molecular Weight | 380.1139 g/mol |
| LogP | 3.1044 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.1139 |
| Monoisotopic Mass | 380.1139 |
| Heavy Atoms | 26 |
| Complexity | 760.1935 |
Chemical Identifiers
| CAS Number | 445016-00-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC)Cl)OCC=C |
Product Overview
AC1MGQ3I (CAS 445016-00-2), with molecular formula C18H21ClN2O5 and molecular weight 380.1139 g/mol. IUPAC: methyl 4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.