AC1N7WNC
N-(3,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: Oprea1_270966|N-(3,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide|F1222-0458|N-(3,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide|N-(3,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide|N-(3,5-dimethylphenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16165 g/mol |
| LogP | 3.83924 |
| Topological Polar Surface Area | 82.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.16165 |
| Monoisotopic Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 980.5422 |
Chemical Identifiers
| CAS Number | 537679-75-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC(=CC(=C3)C)C)O |
Product Overview
AC1N7WNC (CAS 537679-75-7), with molecular formula C22H25N3O3S and molecular weight 411.16165 g/mol. IUPAC: N-(3,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.