2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-7332 |
| Compound Name: | 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5833 |
| logD: | 2.5833 |
| logSw: | -2.7705 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.647 |
| InChI Key: | GNSNRIYPYJLFPJ-UHFFFAOYSA-N |