| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2006 | 22 | No |
Popular Name: 5-(4-tert-butylphenyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol 5-(4-tert-butylphenyl)-4-cyclohe…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 309272-76-2
4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-[4-(1,1-dimethylethyl)phenyl]-
5-(4-tert-Butyl-phenyl)-4-cyclohexyl-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) | 5.17 | 11.91 | -9.36 | 1 | 3 | 0 | 34 | 315.486 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.90 | 11.75 | -47.06 | 0 | 3 | -1 | 31 | 314.478 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
