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1-(1-benzhydryl-azetidin-3-ylmethyl)-6-fluoro-1H-indole

HCID 69204262
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc2ccn(CC3CN(C(c4ccccc4)c4ccccc4)C3)c2c1
InChIKey
NLLTURVWBRZMAZ-UHFFFAOYSA-N
Molecular formula
C25H23FN2
Average molar mass
370.5 g/mol

Names & identifiers

Preferred name
1-(1-benzhydryl-azetidin-3-ylmethyl)-6-fluoro-1H-indole
IUPAC
1-[(1-benzhydrylazetidin-3-yl)methyl]-6-fluoroindole

Names & synonyms

SCHEMBL4821830NLLTURVWBRZMAZ-UHFFFAOYSA-N1-(1-benzhydryl-azetidin-3-ylmethyl)-6-fluoro-1H-indole

Database identifiers

PubChem CID
69204262

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
8.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
475

Related reactions

8 records
New reaction record
HRID 28485 reaction equation
HRID 28485As productuspto-grants-2008_09
HRID 28486 reaction equation
HRID 28486As reactantuspto-grants-2008_09
HRID 177375 reaction equation
HRID 177375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 186481 reaction equation
HRID 186481As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 720390 reaction equation
HRID 720390As productuspto-grants-2006_11
HRID 720391 reaction equation
HRID 720391As reactantuspto-grants-2006_11
HRID 2056379 reaction equation
HRID 2056379As productuspto-grants-2008_02
HRID 2056380 reaction equation
HRID 2056380As reactantuspto-grants-2008_02

Compound notes

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