2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile
2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3368-0671 |
| Compound Name: | 2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCc1c(C)c(C#N)c(nc1C)SC1CC(N(C1=O)c1ccc(cc1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.831 |
| logD: | 3.831 |
| logSw: | -4.2738 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.661 |
| InChI Key: | BMOJAIUTMXLPGF-IBGZPJMESA-N |