2-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
Chemical Structure Depiction of
2-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
2-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide
Compound characteristics
| Compound ID: | M617-0456F |
| Compound Name: | 2-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CCN1CCn2c3ccc(cc3nc2C1=O)C(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1562 |
| logD: | 3.1562 |
| logSw: | -3.3392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.292 |
| InChI Key: | RIMSSEIDQBHRCN-UHFFFAOYSA-N |