CBMicro_026007
2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: CBMicro_026007|BAS 01051842|BIM-0025924.P001|AG-690/12892792|2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate|2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate|2,2,2-trichloroethyl 6-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidin e-5-carboxylate
| Molecular Formula | C16H17Cl3N2O4 |
|---|---|
| Molecular Weight | 406.0254 g/mol |
| LogP | 3.6266 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0254 |
| Monoisotopic Mass | 406.0254 |
| Heavy Atoms | 25 |
| Complexity | 700.8654 |
Chemical Identifiers
| CAS Number | 330675-01-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(Cl)(Cl)Cl |
Product Overview
CBMicro_026007 (CAS 330675-01-9), with molecular formula C16H17Cl3N2O4 and molecular weight 406.0254 g/mol. IUPAC: 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.