| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 22 | No |
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CAS Numbers: 1171423-05-4 , N/A
5-(tert-Butyl) 3-ethyl 4,6-dioxo-3a,4,6,6a-tetra-hydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylate
5-(tert-Butyl) 3-ethyl 4,6-dioxo-3a,4,6,6a-tetrahy dropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylate
5-(tert-butyl)3-ethyl4,6-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
5-tert-Butyl 3-ethyl 4,6-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylate
| 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) | 0.03 | 4.75 | -18.05 | 1 | 9 | 0 | 114 | 311.294 | 5 | ↓ |
| Ref Reference (pH 7) | 0.03 | 4.2 | -13.46 | 1 | 9 | 0 | 114 | 311.294 | 5 | ↓ |
| Ref Reference (pH 7) | 0.03 | 4.21 | -13.51 | 1 | 9 | 0 | 114 | 311.294 | 5 | ↓ |
| Ref Reference (pH 7) | 0.03 | 4.73 | -18.02 | 1 | 9 | 0 | 114 | 311.294 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.240000000000000e+002 - 1.250000000000000e+002 | KeyOrganics |
| melting_point | 124 - 125 | KeyOrganics |
| MP | 124-125° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-quinone](http://zinc12.docking.org/img/rings/39934.gif)