In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 21 | No |
Popular Name: 4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol 4-(3-methoxypropyl)-5-[4-(triflu…
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CAS Numbers: 261965-18-8 , [261965-18-8]
4- -5-[4- PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
4-(3-Methoxypropyl)-5-[4-(trifluoromethyl)-phenyl]-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) | 2.71 | 8.25 | -12.96 | 1 | 4 | 0 | 43 | 317.336 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 8.09 | -44.1 | 0 | 4 | -1 | 40 | 316.328 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.