2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4504 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C20 H16 N2 O3 S2 |
| Smiles: | COc1ccc(cc1OC)C(CSc1c(C#N)ccc(c2cccs2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3471 |
| logD: | 4.3471 |
| logSw: | -4.4489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.025 |
| InChI Key: | GMEIJWSKBFAFJK-UHFFFAOYSA-N |