2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 4554-6367 |
| Compound Name: | 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(NC(=C1C#N)SCC(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4781 |
| logD: | 2.4226 |
| logSw: | -3.0593 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.043 |
| InChI Key: | YPUBRZHHIIMZMR-MRXNPFEDSA-N |