HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
4-chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Identifiers & Physical Properties
| CAS No. | 295344-33-1 |
|---|---|
| Molecular formula | C16H17Cl3N2O3 |
| Average molar mass | 391.7 g/mol |
| SMILES | CC1=C(C(=O)OCCCCCl)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1 |
| InChIKey | WSIJGRXWCLQXMV-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 67.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 513 |