3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1-(4-methoxyphenyl)pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1-(4-methoxyphenyl)pyrazin-2(1H)-one
3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1-(4-methoxyphenyl)pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0831 |
| Compound Name: | 3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1-(4-methoxyphenyl)pyrazin-2(1H)-one |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Smiles: | Cc1ccc(C(CSC2C(N(C=CN=2)c2ccc(cc2)OC)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3415 |
| logD: | 3.3415 |
| logSw: | -3.5409 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.433 |
| InChI Key: | XSGGPQNAWLWKSS-UHFFFAOYSA-N |