| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2006 | 31 | Yes |
Popular Name: 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N,N-diethylacetamide 2-{[6-(1-adamantyl)-3-cyano-4-(t…
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CAS Number: 488733-83-1
2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
| 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) | 5.63 | 3.72 | -11.61 | 0 | 4 | 0 | 56 | 451.558 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.63 | 3.87 | -47.02 | 1 | 4 | 1 | 58 | 452.566 | 7 | ↓ |
