Basic information
- Standard SMILES
COc1ccc2[nH]cc(CC3=CCCN(CCCC(=O)c4ccc(F)cc4)C3)c2c1- InChIKey
CIPFPNCFILKTBF-UHFFFAOYSA-N- Molecular formula
- C25H27FN2O2
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.20565627
Names & identifiers
- Preferred name
- 5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
- IUPAC
- 1-(4-fluorophenyl)-4-[5-[(5-methoxy-1H-indol-3-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
Names & synonyms
bimg80SCHEMBL9045326CIPFPNCFILKTBF-UHFFFAOYSA-NL0118645-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
Database identifiers
- PubChem CID
- 9866050
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 602
Related reactions
3 records
Compound notes
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