| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-4-one 2-[3-(trifluoromethyl)phenyl]-3,…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 125903-84-6 , [125903-84-6]
| 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) | 2.45 | 5.41 | -10.15 | 1 | 3 | 0 | 46 | 240.184 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 3.56 | -47.83 | 0 | 3 | -1 | 49 | 239.176 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 185 - 187 | KeyOrganics |
| MP | 185-187° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Purity | >97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
