N-(4-bromo-3-methylphenyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
N-(4-bromo-3-methylphenyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
Compound characteristics
| Compound ID: | M617-0247 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-ethyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide |
| Molecular Weight: | 427.3 |
| Molecular Formula: | C20 H19 Br N4 O2 |
| Smiles: | CCN1CCn2c3ccc(cc3nc2C1=O)C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9456 |
| logD: | 3.9431 |
| logSw: | -3.9504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.97 |
| InChI Key: | BWVHZMLIAMDSNP-UHFFFAOYSA-N |