In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 18 | No |
Popular Name: 3-oxo-N,3-diphenylpropanamide 3-oxo-N,3-diphenylpropanamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 85-99-4 , 959-66-0 , [959-66-0]
3-[(2-methoxyphenyl)-phenyl-methyl]pentanedinitrile
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) | 2.53 | 1.12 | -18.08 | 1 | 3 | 0 | 46 | 239.274 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 107 | TCI |
MP | 107 - 109 | Enamine Building Blocks |
MP | 107...109 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
PUBCHEM_PATENT_ID | EP0027284A1; EP0227173A2; EP0227173B1; EP0268705A1; EP0268705B1; US4128427; US4340664; US4837168; US4908155; US5498551 | IBM Patent Data |