3-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1-(3,5-dimethylphenyl)pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1-(3,5-dimethylphenyl)pyrazin-2(1H)-one
3-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1-(3,5-dimethylphenyl)pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0472 |
| Compound Name: | 3-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1-(3,5-dimethylphenyl)pyrazin-2(1H)-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C=CN=C(C1=O)SCC(c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4267 |
| logD: | 3.4267 |
| logSw: | -3.7862 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.064 |
| InChI Key: | YBFAHFVCAIIIGX-UHFFFAOYSA-N |