3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(4-fluorophenyl)pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(4-fluorophenyl)pyrazin-2(1H)-one
3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(4-fluorophenyl)pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0719 |
| Compound Name: | 3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1-(4-fluorophenyl)pyrazin-2(1H)-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H19 F N2 O2 S |
| Smiles: | CC(C(c1ccc(C)c(C)c1)=O)SC1C(N(C=CN=1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0018 |
| logD: | 4.0018 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.381 |
| InChI Key: | JNXDGYJMBMOJCK-HNNXBMFYSA-N |