| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 17 | Yes |
Popular Name: Rufinamide Rufinamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106308-44-5 , [106308-44-5]
1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-Triazole-4-carboxamide
1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide
106308-44-5; Banzel (TN); D05775; Rufinamide (JAN/USAN/INN)
1H-1,2,3-Triazole-4-carboxamide, 1-((2,6-difluorophenyl)methyl)-
1H-1,2,3-Triazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.74 | 1.5 | -10.16 | 2 | 5 | 0 | 74 | 238.197 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.42e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Target | Sodium Channel | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.