2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | D285-0222 |
| Compound Name: | 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCN(CC)C(CSC1NC(C(C#N)=C(c2ccc(C)cc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3922 |
| logD: | -1.1608 |
| logSw: | -2.7069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.115 |
| InChI Key: | MHQVEAZWQCVRFI-UHFFFAOYSA-N |