3-[4-(4-Acetyl-3-hydroxy-2-pyridin-2-yl-phenoxymethyl)-benzyl]-benzoic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cccc(Cc2ccc(COc3ccc(C(C)=O)c(O)c3-c3ccccn3)cc2)c1- InChIKey
ACYUZRJGYHDBRD-UHFFFAOYSA-N- Molecular formula
- C29H25NO5
- Average molar mass
- 467.5 g/mol
Names & identifiers
- Preferred name
- 3-[4-(4-Acetyl-3-hydroxy-2-pyridin-2-yl-phenoxymethyl)-benzyl]-benzoic acid methyl ester
- IUPAC
- methyl 3-[[4-[(4-acetyl-3-hydroxy-2-pyridin-2-ylphenoxy)methyl]phenyl]methyl]benzoate
Names & synonyms
SCHEMBL481447ACYUZRJGYHDBRD-UHFFFAOYSA-N3-[4-(4-acetyl-3-hydroxy-2-pyridin-2-yl-phenoxymethyl)-benzyl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 136088029
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 691
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Related reactions
4 records
Compound notes
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