2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(4-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-(4-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-(4-methylcyclohexyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | E525-0172 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-N-(4-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: | CC1CCC(CC1)NC(C1(C)Cn2c3ccccc3nc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4314 |
| logD: | 5.4314 |
| logSw: | -5.3303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.418 |
| InChI Key: | BVNXHEUUJDUAJE-OFBGADOGSA-N |