In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2005 | 20 | Yes |
Popular Name: 3-Amino-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one 3-Amino-1-methyl-5-phenyl-1H-ben…
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CAS Numbers: 103343-65-3 , 103421-61-0
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) | 1.47 | -3.56 | -37.51 | 3 | 4 | 1 | 60 | 266.324 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
PUBCHEM_PATENT_ID | US5010076 | IBM Patent Data |