Basic information
- Standard SMILES
O=C(OCc1ccccc1)c1ccc(F)c(C(=O)N2CCc3ccccc3C2)c1- InChIKey
LRVHRBARQJKSIO-UHFFFAOYSA-N- Molecular formula
- C24H20FNO3
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.14272166
Names & identifiers
- Preferred name
- Benzyl 4-fluoro-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoate
- IUPAC
- benzyl 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-fluorobenzoate
Names & synonyms
SCHEMBL14059014LRVHRBARQJKSIO-UHFFFAOYSA-NBenzyl 4-fluoro-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoate
Database identifiers
- PubChem CID
- 71060780
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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