Basic information
- Standard SMILES
CCCN(Cc1ccc(C#Cc2ccccc2)cc1)c1ccc(F)c(C(=O)OC)c1- InChIKey
MCCWVUFEKJXLLQ-UHFFFAOYSA-N- Molecular formula
- C26H24FNO2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.17910717
Names & identifiers
- Preferred name
- Methyl 2-fluoro-5-{[4-(phenylethynyl)benzyl](propyl)-amino}benzoate
- IUPAC
- methyl 2-fluoro-5-[[4-(2-phenylethynyl)phenyl]methyl-propylamino]benzoate
Names & synonyms
SCHEMBL1810876MCCWVUFEKJXLLQ-UHFFFAOYSA-Nmethyl 2-fluoro-5-{[4-(phenylethynyl)benzyl](propyl)-amino}benzoate
Database identifiers
- PubChem CID
- 57554517
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 595
Related reactions
2 records
Compound notes
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