2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
Compound characteristics
| Compound ID: | D285-0056 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | CCN(CC)C(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8637 |
| logD: | -1.6893 |
| logSw: | -2.4176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.115 |
| InChI Key: | JYDJFHITOBSFHL-UHFFFAOYSA-N |