3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(3-methylphenyl)pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(3-methylphenyl)pyrazin-2(1H)-one
3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(3-methylphenyl)pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0779 |
| Compound Name: | 3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(3-methylphenyl)pyrazin-2(1H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | CC(C(c1ccc(C)c(C)c1)=O)SC1C(N(C=CN=1)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4863 |
| logD: | 4.4863 |
| logSw: | -4.3549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.381 |
| InChI Key: | SEYPEESBJDKLOP-KRWDZBQOSA-N |