2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D285-0069 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4037 |
| logD: | -1.1492 |
| logSw: | -3.0491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.064 |
| InChI Key: | GTOXQSAWFPKZAX-UHFFFAOYSA-N |