2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | E525-2164 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C27 H23 F N4 O4 |
| Smiles: | CC1(Cn2c3ccccc3nc2C(N1Cc1ccc2c(c1)OCO2)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2929 |
| logD: | 4.2929 |
| logSw: | -4.3482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.692 |
| InChI Key: | FNUPUHIIDBPRKM-MHZLTWQESA-N |