3-[2-(3-Fluorobenzyloxy)-3'-(3-heptyl-1-methylureido)biphenyl-4-yl]propanoic acid
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Basic information
- Standard SMILES
CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2OCc2cccc(F)c2)c1- InChIKey
PILXYQUIPWOGDP-UHFFFAOYSA-N- Molecular formula
- C31H37FN2O4
- Average molar mass
- 520.6 g/mol
Names & identifiers
- Preferred name
- 3-[2-(3-Fluorobenzyloxy)-3'-(3-heptyl-1-methylureido)biphenyl-4-yl]propanoic acid
- IUPAC
- 3-[3-[(3-fluorophenyl)methoxy]-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid
Names & synonyms
SCHEMBL2084249PILXYQUIPWOGDP-UHFFFAOYSA-N3-[2-(3-fluorobenzyloxy)-3'-(3-heptyl-1-methylureido)biphenyl-4-yl]propanoic acid
Database identifiers
- PubChem CID
- 11613311
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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