4-Oxo-2-phenyl-N-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-carboxamide
Basic information
- CAS
101949-98-8- Standard SMILES
O=C(Nc1nn[nH]n1)c1cccc2c(=O)cc(-c3ccccc3)oc12- InChIKey
YPEFPWCHYAUNDH-UHFFFAOYSA-N- Molecular formula
- C17H11N5O3
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.08618923
Names & identifiers
- Preferred name
- 4-Oxo-2-phenyl-N-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-carboxamide
- IUPAC
- 4-oxo-2-phenyl-N-(2H-tetrazol-5-yl)chromene-8-carboxamide
Names & synonyms
DTXSID8011738684-Oxo-2-phenyl-N-2H-tetrazol-5-yl-4H-1-benzopyran-8-carboxamide4-Oxo-2-phenyl-N-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-carboxamide101949-98-8
Database identifiers
- CAS
101949-98-8- PubChem CID
- 85528608
- DTXSID
DTXSID801173868
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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