2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | D285-0303 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4281 |
| logD: | 0.8751 |
| logSw: | -4.224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.588 |
| InChI Key: | ZWHGZFKJQMXOOK-UHFFFAOYSA-N |