2-benzyl-N-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
Chemical Structure Depiction of
2-benzyl-N-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
2-benzyl-N-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
Compound characteristics
| Compound ID: | M617-1144 |
| Compound Name: | 2-benzyl-N-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | CSc1ccc(cc1)NC(c1ccc2c(c1)nc1C(N(CCn12)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4759 |
| logD: | 4.4757 |
| logSw: | -4.2471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.974 |
| InChI Key: | ADUSHXIOBVCPJT-UHFFFAOYSA-N |