AC1NRHLT
2-amino-5-(1,3-benzoxazol-2-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile
Also Known As: Streptomycin B, sulfate (1:1), monohydrate|2-amino-5-(1,3-benzoxazol-2-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile|2-amino-5-benzooxazol-2-yl-4-(4-fluorophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile|2-amino-5-benzoxazol-2-yl-4-(4-fluorophenyl)-6-(trifluoromethyl)-4H-pyran-3-ca rbonitrile|D-Streptamine, O-.beta.-D-mannopyranosyl-(1.fwdarw.4)-O-2-deoxy-2-(methylamino)-.alpha.-L-glucopyranosyl-(1.fwdarw.2)-O-5-deoxy-3-C-formyl-.alpha.-L-lyxofuranosyl-(1.fwdarw.4)-N,N'-bis(aminoiminomethyl)-, sulfate (1:1) (salt), monohydrate
| Molecular Formula | C20H11F4N3O2 |
|---|---|
| Molecular Weight | 401.07874 g/mol |
| LogP | 4.74818 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.07874 |
| Monoisotopic Mass | 401.07874 |
| Heavy Atoms | 29 |
| Complexity | 1167.9297 |
Chemical Identifiers
| CAS Number | 6509-43-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(OC(=C(C3C4=CC=C(C=C4)F)C#N)N)C(F)(F)F |
Product Overview
AC1NRHLT (CAS 6509-43-9), with molecular formula C20H11F4N3O2 and molecular weight 401.07874 g/mol. IUPAC: 2-amino-5-(1,3-benzoxazol-2-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)-4H-pyran-3-carbonitrile.
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