2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D285-0306 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6022 |
| logD: | 1.0492 |
| logSw: | -4.3 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.132 |
| InChI Key: | KYAFVKFPRVVBHF-UHFFFAOYSA-N |