HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
4-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
Identifiers & Physical Properties
| CAS No. | 442650-75-1 |
|---|---|
| Molecular formula | C22H25N3O5S |
| Average molar mass | 443.5 g/mol |
| SMILES | COc1ccc(NC(=O)C2=C(C)NC(=S)NC2c2cccc(OC)c2OC)c(OC)c1 |
| InChIKey | UZYHFRIPDDOBLJ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 122 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 688 |