| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 24 | Yes |
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CAS Numbers: , 1185302-76-4 , [1185302-76-4]
2-methyl-n-phenyl-n-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)propanamidehydrochloride
METHYLPHENYLTETRAHYDROBENZOXAZEPINYLMETHYLPROPANAMIDEHYDROCHLORID
propanamide, 2-methyl-N-phenyl-N-[(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]-, hydrochloride
| 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) | 3.29 | 8.5 | -53.09 | 2 | 4 | 1 | 46 | 325.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 7.9 | -8.41 | 1 | 4 | 0 | 42 | 324.424 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
