2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D285-0307 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3033 |
| logD: | 0.7503 |
| logSw: | -4.3076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.064 |
| InChI Key: | DKOKOXZOODZXGZ-UHFFFAOYSA-N |