N-(2,3-dimethylcyclohexyl)-3-methyl-1-oxo-2-[3-(propylsulfanyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-3-methyl-1-oxo-2-[3-(propylsulfanyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
N-(2,3-dimethylcyclohexyl)-3-methyl-1-oxo-2-[3-(propylsulfanyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | E525-0595 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-3-methyl-1-oxo-2-[3-(propylsulfanyl)propyl]-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 470.68 |
| Molecular Formula: | C26 H38 N4 O2 S |
| Smiles: | CCCSCCCN1C(c2nc3ccccc3n2CC1(C)C(NC1CCCC(C)C1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8329 |
| logD: | 4.8329 |
| logSw: | -4.4155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.942 |
| InChI Key: | STCHXPLWUHHUCE-UHFFFAOYSA-N |