Basic information
- Standard SMILES
O=C(CCCCCN1CCN(c2ccc(Cc3ccc(F)cc3)cc2)CC1)Nc1ccccc1Cc1ccccc1- InChIKey
LTWHYEVEGLOYOE-UHFFFAOYSA-N- Molecular formula
- C36H40FN3O
- Average molar mass
- 549.7 g/mol
- Monoisotopic mass
- 549.31554107
Names & identifiers
- Preferred name
- 2-Benzyl-1-[6-(4-(4-(4-fluorophenyl)methylphenyl)piperazin-1-yl)hexanoylamino]benzene
- IUPAC
- N-(2-benzylphenyl)-6-[4-[4-[(4-fluorophenyl)methyl]phenyl]piperazin-1-yl]hexanamide
Names & synonyms
SCHEMBL7467430LTWHYEVEGLOYOE-UHFFFAOYSA-N2-benzyl-1-[6-(4-(4-(4-fluorophenyl)methylphenyl)piperazin-1-yl)hexanoylamino]benzene
Database identifiers
- PubChem CID
- 19694239
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 733
Related reactions
2 records
Compound notes
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