2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-methylcyclohexyl)-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]-3-methyl-N-(2-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | E525-0301 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(2-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C27 H30 N4 O4 |
| Smiles: | CC1CCCCC1NC(C1(C)Cn2c3ccccc3nc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9413 |
| logD: | 4.9413 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.808 |
| InChI Key: | XZVWVQTWOUGQQA-UHFFFAOYSA-N |