2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D285-0251 |
| Compound Name: | 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9417 |
| logD: | 0.3888 |
| logSw: | -3.9405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.588 |
| InChI Key: | FRZDNRJQTAYXRJ-UHFFFAOYSA-N |