| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2012 | 17 | No |
Popular Name: [(3S)-4-Azabicyclo[4.4.0]dec-3-yl]-N-(tert-butyl)carboxamide [(3S)-4-Azabicyclo[4.4.0]dec-3-y…
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CAS Number: 136465-81-1
[3S-(3alpha,4abeta,8abeta)]-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
[3S-(3alpha,4abeta,8abeta)]-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide, 98%
| 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) | 2.96 | 6.53 | -31.82 | 2 | 3 | 1 | 37 | 239.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 5.23 | -4.61 | 1 | 3 | 0 | 32 | 238.375 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 112-115? | Alfa-Aesar |
| Melting_Point | 112-115° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0927165A2; EP0931071A1; US5705647; US5925759; US5962725; US6084107; US6117999; WO1998009951A2 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.