| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | No |
Popular Name: 4-(4-Chloro-2-methyl-phenyl)-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol 4-(4-Chloro-2-methyl-phenyl)-5-(…
Find On: PubMed — Wikipedia — Google
CAS Number: 216501-15-4
4-(4-Chloro-2-methyl-phenyl)-5-(4-methoxy-phenyl)-
4-(4-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-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) | 4.89 | 10.46 | -45.56 | 0 | 4 | -1 | 40 | 330.82 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 10.62 | -11.18 | 1 | 4 | 0 | 43 | 331.828 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.