2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-3-methyl-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
Basic information
- CAS
280571-53-1- Standard SMILES
Cc1cc(Cc2ccc(F)cc2)oc1C(=O)C=C(O)c1ncn[nH]1- InChIKey
NMAHGEZLSHZWQB-UHFFFAOYSA-N- Molecular formula
- C17H14FN3O3
- Average molar mass
- 327.31 g/mol
- Monoisotopic mass
- 327.10191948
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-3-methyl-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-
- IUPAC
- 1-[5-[(4-fluorophenyl)methyl]-3-methylfuran-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Names & synonyms
280571-53-12-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-3-methyl-2-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-2-Propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-3-methyl-2-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)-DTXSID90950747(Z)-1-[5-[(4-fluorophenyl)methyl]-3-methyl-2-furyl]-3-hydroxy-3-(4H-1,2,4-triazol-3-yl)prop-2-en-1-one1-{5-[(4-Fluorophenyl)methyl]-3-methylfuran-2-yl}-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)prop-2-en-1-one
Database identifiers
- CAS
280571-53-1- PubChem CID
- 489197
- DTXSID
DTXSID90950747
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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