Basic information
- CAS
67733-05-5- Standard SMILES
N#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1- InChIKey
VYCDUJGYVPMNJZ-UHFFFAOYSA-N- Molecular formula
- C17H10N2O3
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.06914219
Names & identifiers
- Preferred name
- N-(4-cyanophenyl)-4-oxochromene-2-carboxamide
- IUPAC
- N-(4-cyanophenyl)-4-oxochromene-2-carboxamide
Names & synonyms
N-(4-cyanophenyl)-4-oxochromene-2-carboxamideMLS001033121CHEMBL1702886DTXSID301327549HMS1762M19HMS2727M12AKOS034137428WAY-613714NCGC00305650-0167733-05-5SMR000385514AB00607460-06
Show more names
Z30612400N-(4-Cyanophenyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Database identifiers
- CAS
67733-05-5- PubChem CID
- 2394592
- DTXSID
DTXSID301327549- ChEMBL
CHEMBL1702886
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 537
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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