Basic information
- Standard SMILES
CCCCCCCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(OCc2ccccc2C(=O)O)cc1- InChIKey
AVLMOQWYTWOYRH-UHFFFAOYSA-N- Molecular formula
- C30H33F2NO4
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.23776486
Names & identifiers
- Preferred name
- 2-[(4-{2-[(2,4-Difluorobenzyl)(heptyl)amino]-2-oxoethyl}phenoxy)methyl]benzoic acid
- IUPAC
- 2-[[4-[2-[(2,4-difluorophenyl)methyl-heptylamino]-2-oxoethyl]phenoxy]methyl]benzoic acid
Names & synonyms
SCHEMBL4629932AVLMOQWYTWOYRH-UHFFFAOYSA-N2-[(4-{2-[(2,4-Difluorobenzyl)(heptyl)amino]-2-oxoethyl}phenoxy)methyl]benzoic acid
Database identifiers
- PubChem CID
- 10029294
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 684
Related reactions
2 records
Compound notes
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