| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | No |
Popular Name: 5-(3,4-dichlorobenzyl)-4-propyl-4H-1,2,4-triazole-3-thiol 5-(3,4-dichlorobenzyl)-4-propyl-…
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CAS Number: 306936-92-5
3H-1,2,4-Triazole-3-thione,5-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-4-propyl-
5-(3,4-DICHLOROBENZYL)-4-PROPYL-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) | 3.68 | 10.03 | -15.05 | 1 | 3 | 0 | 34 | 302.23 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 9.87 | -44.2 | 0 | 3 | -1 | 31 | 301.222 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.