N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-5-bromonicotinamide
Basic information
- CAS
929825-67-2- Standard SMILES
Cc1cc(NC(=O)c2cncc(Br)c2)cc(-c2nc3ccccc3o2)c1O- InChIKey
FRTCLJNNBRQZBN-UHFFFAOYSA-N- Molecular formula
- C20H14BrN3O3
- Average molar mass
- 424.2 g/mol
Names & identifiers
- Preferred name
- N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-5-bromonicotinamide
- IUPAC
- N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-5-bromopyridine-3-carboxamide
- English name
- N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-5-bromopyridine-3-carboxamide
- Molecular formula
- C20H14BrN3O3
- Molecular weight
- 424.25
Names & synonyms
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-5-bromonicotinamideSTK319852AKOS000453821AP-970/43482202N-(3-(benzo[d]oxazol-2-yl)-4-hydroxy-5-methylphenyl)-5-bromonicotinamideN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-5-bromopyridine-3-carboxamide3-Pyridinecarboxamide, N-[3-(2-benzoxazolyl)-4-hydroxy-5-methylphenyl]-5-bromo-
Database identifiers
- CAS
929825-67-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Boiling point
- 501.8 · 501.8±50.0 °C(Predicted)
- Density
- 1.583 · 1.583±0.06 g/cm3(Predicted)
- pka
- 8.76 · 8.76±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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