Basic information
- CAS
6059-81-0- Standard SMILES
O=C(NCc1ccco1)/C(=C/c1cccnc1)NC(=O)c1cccc(Br)c1- InChIKey
CFDZIYHZSQBIHN-ZDLGFXPLSA-N- Molecular formula
- C20H16BrN3O3
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.0375
Names & identifiers
- Preferred name
- 3-Bromo-N-{1-[(furan-2-ylmethyl)-carbamoyl]-2-pyridin-3-yl-vinyl}-benzamide
- IUPAC
- 3-bromo-N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Names & synonyms
6059-81-03-Bromo-N-{1-[(furan-2-ylmethyl)-carbamoyl]-2-pyridin-3-yl-vinyl}-benzamide3-bromo-N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(3-pyridinyl)vinyl]benzamideSMR000177140MLS000563399MLS002535375CHEMBL1875796DTXSID00417417HMS2420D17AKOS0006595903-bromo-N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamideBIM-0043009.P001
Show more names
ST50255949(2Z)-2-[(3-bromophenyl)carbonylamino]-N-(2-furylmethyl)-3-(3-pyridyl)prop-2-en amide3-Bromo-N-[(1Z)-3-{[(furan-2-yl)methyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Database identifiers
- CAS
6059-81-0- PubChem CID
- 5347309
- DTXSID
DTXSID00417417- ChEMBL
CHEMBL1875796
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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