Basic information
- Standard SMILES
CCOc1nn(Cc2ccc(OCc3ccc(-c4ccccc4)nc3)cc2)cc1CCC(=O)O- InChIKey
CTUOUZAPHZGFCZ-UHFFFAOYSA-N- Molecular formula
- C27H27N3O4
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.20015635
Names & identifiers
- Preferred name
- 3-[3-ethoxy-1-[4-(6-phenyl-3-pyridylmethoxy)benzyl]-1H-pyrazol-4-yl]propionic acid
- IUPAC
- 3-[3-ethoxy-1-[[4-[(6-phenyl-3-pyridinyl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
Names & synonyms
SCHEMBL5385574CTUOUZAPHZGFCZ-UHFFFAOYSA-N3-[3-ethoxy-1-[4-(6-phenyl-3-pyridylmethoxy)benzyl]-1H-pyrazol-4-yl]propionic acid
Database identifiers
- PubChem CID
- 69423987
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 607
Related reactions
1 records
Compound notes
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