| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 21 | Yes |
Popular Name: tert-butyl 4-[(5-bromo-2-thienyl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate tert-butyl 4-[(5-bromo-2-thienyl…
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CAS Numbers: 1017782-71-6 , N/A
BUTYLBROMOTHIENYLCARBONYLTETRAHYDROPYRAZINECARBOXYLAT
tert-Butyl 4-(5-bromothiophene-2-carbonyl)piperazine-1-carboxylate
tert-Butyl 4-[(5-bromo-2-thienyl)carbonyl]-tetrahydro-1(2H)-pyrazinecarboxylate
tert-butyl4-[(5-bromo-2-thienyl)carbonyl]-tetrahydro-1(2h)-pyrazinecarboxylate
| 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) | 3.13 | 6.92 | -7.58 | 0 | 5 | 0 | 50 | 375.288 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.070000000000000e+002 - 1.080000000000000e+002 | KeyOrganics |
| melting_point | 107 - 108 | KeyOrganics |
| MP | 107-108° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
