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Basic information
- Standard SMILES
Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1- InChIKey
PEYWPHNTXZMLKQ-SDNWHVSQSA-N- Molecular formula
- C28H23N3O6
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- (2E)-3-{3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)oxy]-1-phenyl-1H-pyrazol-4-yl}-2-propenoic acid
- IUPAC
- (E)-3-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL4848921PEYWPHNTXZMLKQ-SDNWHVSQSA-N(2E)-3-{3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)oxy]-1-phenyl-1H-pyrazol-4-yl}-2-propenoic acid
Database identifiers
- PubChem CID
- 69216366
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 754
Related reactions
1 records
Compound notes
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