2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diethylacetamide
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | 4554-6362 |
| Compound Name: | 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | CCN(CC)C(CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8132 |
| logD: | 1.7577 |
| logSw: | -2.6232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.57 |
| InChI Key: | MCWBJQRTHZMUJD-CQSZACIVSA-N |