2-(4-bromophenyl)-3,5,6-trimethyl-1,4-dioxo-1lambda~5~,4lambda~5~-pyrazine
Chemical Structure Depiction of
2-(4-bromophenyl)-3,5,6-trimethyl-1,4-dioxo-1lambda~5~,4lambda~5~-pyrazine
2-(4-bromophenyl)-3,5,6-trimethyl-1,4-dioxo-1lambda~5~,4lambda~5~-pyrazine
Compound characteristics
Compound ID: | 5074-0123 |
Compound Name: | 2-(4-bromophenyl)-3,5,6-trimethyl-1,4-dioxo-1lambda~5~,4lambda~5~-pyrazine |
Molecular Weight: | 309.16 |
Molecular Formula: | C13 H13 Br N2 O2 |
Smiles: | Cc1c(C)[n+](c(c2ccc(cc2)[Br])c(C)[n+]1[O-])[O-] |
Stereo: | ACHIRAL |
logP: | 2.6927 |
logD: | 2.6927 |
logSw: | -2.6426 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 35.076 |
InChI Key: | NBGIWHRQDTYBDM-UHFFFAOYSA-N |