Basic information
- Standard SMILES
COC(=O)C=Cc1ccc(CC(C)NCC(O)c2cccc(F)c2)cc1- InChIKey
BMVFGVOZANINBY-UHFFFAOYSA-N- Molecular formula
- C21H24FNO3
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enoate
- IUPAC
- methyl 3-[4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL11170241
Database identifiers
- PubChem CID
- 53690352
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 449
Related reactions
1 records
Compound notes
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