| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | No |
Popular Name: 5-(3,4-Dimethoxy-benzyl)-4-(4-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol 5-(3,4-Dimethoxy-benzyl)-4-(4-fl…
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CAS Number: 883019-45-2
5-(3,4-Dimethoxy-benzyl)-4-(4-fluoro-phenyl)-4H-
5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
| 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) | 3.32 | 9.97 | -46.78 | 0 | 5 | -1 | 49 | 344.391 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 10.13 | -16.68 | 1 | 5 | 0 | 52 | 345.399 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
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