2-(4-bromophenyl)-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine
Chemical Structure Depiction of
2-(4-bromophenyl)-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine
2-(4-bromophenyl)-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine
Compound characteristics
| Compound ID: | 5074-0122 |
| Compound Name: | 2-(4-bromophenyl)-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine |
| Molecular Weight: | 349.23 |
| Molecular Formula: | C16 H17 Br N2 O2 |
| Smiles: | Cc1c(c2ccc(cc2)[Br])[n+](c2CCCCCc2[n+]1[O-])[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.9883 |
| logD: | 3.9883 |
| logSw: | -4.121 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.298 |
| InChI Key: | DWYBPGYHKQFRFK-UHFFFAOYSA-N |