2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-7333 |
| Compound Name: | 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1513 |
| logD: | 2.1513 |
| logSw: | -2.6862 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.071 |
| InChI Key: | MPRWEMOBMFCDPP-UHFFFAOYSA-N |