2-[(furan-2-yl)methyl]-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole
Chemical Structure Depiction of
2-[(furan-2-yl)methyl]-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole
2-[(furan-2-yl)methyl]-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole
Compound characteristics
| Compound ID: | Y020-8656 |
| Compound Name: | 2-[(furan-2-yl)methyl]-6-[4-(methylsulfanyl)phenyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C23 H22 N6 O S |
| Smiles: | CSc1ccc(cc1)C1N=C2NCN(Cc3ccco3)CN2c2nc3ccccc3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1949 |
| logD: | 5.1127 |
| logSw: | -5.1601 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.411 |
| InChI Key: | AQKDQKDOPWZKTG-OAQYLSRUSA-N |