1-(4-bromophenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(4-bromophenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
1-(4-bromophenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0826 |
| Compound Name: | 1-(4-bromophenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 461.33 |
| Molecular Formula: | C20 H17 Br N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C(CSC1C(N(C=CN=1)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9329 |
| logD: | 2.9329 |
| logSw: | -3.3723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.151 |
| InChI Key: | BBAQUVKHOKNCLV-UHFFFAOYSA-N |