2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D285-0099 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0893 |
| logD: | -0.4637 |
| logSw: | -3.4637 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.711 |
| InChI Key: | BJSSYGSNYJDREC-UHFFFAOYSA-N |