3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole
Compound characteristics
| Compound ID: | 8017-1417 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole |
| Molecular Weight: | 308.34 |
| Molecular Formula: | C17 H16 N4 O2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1CNc2nc3ccccc3n2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.1498 |
| logD: | 0.6012 |
| logSw: | -3.0813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.547 |
| InChI Key: | MYYGAAPIGHKPGV-UHFFFAOYSA-N |