6-(3,4-dimethoxyphenyl)-2-[(oxolan-2-yl)methyl]-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
6-(3,4-dimethoxyphenyl)-2-[(oxolan-2-yl)methyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole
6-(3,4-dimethoxyphenyl)-2-[(oxolan-2-yl)methyl]-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: | Y020-6426 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-2-[(oxolan-2-yl)methyl]-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C24 H28 N6 O3 |
| Smiles: | COc1ccc(cc1OC)C1N=C2NCN(CC3CCCO3)CN2c2nc3ccccc3n12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3704 |
| logD: | 3.2985 |
| logSw: | -3.4938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.578 |
| InChI Key: | XBEFSQNRRQJJJP-UHFFFAOYSA-N |