2-ethyl-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine
Chemical Structure Depiction of
2-ethyl-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine
2-ethyl-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine
Compound characteristics
| Compound ID: | 5074-0047 |
| Compound Name: | 2-ethyl-3-methyl-1,4-dioxo-6,7,8,9-tetrahydro-5H-1lambda~5~,4lambda~5~-cyclohepta[b]pyrazine |
| Molecular Weight: | 222.28 |
| Molecular Formula: | C12 H18 N2 O2 |
| Smiles: | CCc1c(C)[n+](c2CCCCCc2[n+]1[O-])[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.2023 |
| logD: | 2.2023 |
| logSw: | -1.8534 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.05 |
| InChI Key: | ITXLDHDJBVNSAE-UHFFFAOYSA-N |