| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 21 | No |
Popular Name: 4-Allyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol 4-Allyl-5-(3,4,5-trimethoxypheny…
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CAS Numbers: , 77803-42-0
4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-Allyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
4-allyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| 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) | 1.84 | 7.14 | -11.52 | 1 | 6 | 0 | 61 | 307.375 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 7.24 | -43.7 | 0 | 6 | -1 | 58 | 306.367 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.