2-({[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino}methyl)phenol
Chemical Structure Depiction of
2-({[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino}methyl)phenol
2-({[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino}methyl)phenol
Compound characteristics
| Compound ID: | 8011-6057 |
| Compound Name: | 2-({[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino}methyl)phenol |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C20 H20 N4 O |
| Smiles: | C1CCc2nnc(c3ccccc3/N=C/c3ccccc3O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.378 |
| logD: | 3.3375 |
| logSw: | -3.282 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.24 |
| InChI Key: | VDOOATFLVHFHGU-UHFFFAOYSA-N |