6-methyl-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
Basic information
- CAS
942837-47-0- Standard SMILES
Cc1ccc2oc(C(=O)Nc3nonc3-c3ccc(C(C)C)cc3)cc(=O)c2c1- InChIKey
AGYBGBBTKGIIER-UHFFFAOYSA-N- Molecular formula
- C22H19N3O4
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 6-methyl-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
- IUPAC
- 6-methyl-4-oxo-N-[4-(4-propan-2-ylphenyl)-1,2,5-oxadiazol-3-yl]chromene-2-carboxamide
- English name
- 6-methyl-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
- Molecular formula
- C22H19N3O4
- Molecular weight
- 389.4
Names & synonyms
6-methyl-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide942837-47-0STK627981AKOS005560599NCGC00292261-01AB01296170-01N-(4-(4-isopropylphenyl)-1,2,5-oxadiazol-3-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide4H-1-Benzopyran-2-carboxamide, 6-methyl-N-[4-[4-(1-methylethyl)phenyl]-1,2,5-oxadiazol-3-yl]-4-oxo-
Database identifiers
- CAS
942837-47-0
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 11 · 11.00±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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