| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 19 | Yes |
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CAS Numbers: 1255574-37-8 , [1255574-37-8]
tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate
tert-Butyl3-oxotetrahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyrazine-5(3H)-carboxylate1,1-dioxide
| 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) | -0.24 | -2.89 | -42.23 | 0 | 8 | -1 | 102 | 290.321 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | -1.29 | -12.66 | 1 | 8 | 0 | 96 | 291.329 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7-tetrahydro-3aH-[1,2,5]thiadiazolo[2,3-a]pyrazine 1,1-dioxide](http://zinc12.docking.org/img/rings/393589.gif)