| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 24 | No |
Popular Name: 4-(4-Chloro-phenyl)-5-(3,4-dimethoxy-benzyl)-4H-[1,2,4]triazole-3-thiol 4-(4-Chloro-phenyl)-5-(3,4-dimet…
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CAS Number: 883019-23-6
4-(4-Chloro-phenyl)-5-(3,4-dimethoxy-benzyl)-4H-
4-(4-chlorophenyl)-5-(3,4-dimethoxybenzyl)-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) | 3.84 | 10.42 | -46.89 | 0 | 5 | -1 | 49 | 360.846 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 10.58 | -16.24 | 1 | 5 | 0 | 52 | 361.854 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.