Basic information
- CAS
280571-47-3- Standard SMILES
O=C(C=C(O)c1nn[nH]n1)c1ccc(Cc2ccc(F)cc2)o1- InChIKey
BJIVDDXSIZXZQH-UHFFFAOYSA-N- Molecular formula
- C15H11FN4O3
- Average molar mass
- 314.27 g/mol
- Monoisotopic mass
- 314.08151839
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-tetrazol-5-yl)-
- IUPAC
- 1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-47-32-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(1H-tetrazol-5-yl)-SCHEMBL4671648DTXSID709507451-{5-[(4-Fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(1H-tetrazol-5-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-47-3- PubChem CID
- 489192
- DTXSID
DTXSID70950745
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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