1-(3,4-dimethylphenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
1-(3,4-dimethylphenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0739 |
| Compound Name: | 1-(3,4-dimethylphenyl)-3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | Cc1ccc(C)c(c1)C(CSC1C(N(C=CN=1)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3794 |
| logD: | 4.3794 |
| logSw: | -4.3345 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.89 |
| InChI Key: | MNTKLZXWIPTQID-UHFFFAOYSA-N |