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Compound
3-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-4-hydroxy-5-methyl-5-phenyl-1H-pyrrol-2-one
HCID
69071633
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Basic information
Standard SMILES
Cc1c(C(C2=C(O)C(C)(c3ccccc3)NC2=O)c2ccccc2)[nH]c2ccc(F)cc12
InChIKey
MWLOYEHGXLNGJS-UHFFFAOYSA-N
Molecular formula
C27H23FN2O2
Average molar mass
426.5 g/mol
Monoisotopic mass
426.17435614
Names & identifiers
Preferred name
3-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-4-hydroxy-5-methyl-5-phenyl-1H-pyrrol-2-one
IUPAC
3-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-4-hydroxy-5-methyl-5-phenyl-1H-pyrrol-2-one
Names & synonyms
SCHEMBL4507089
Database identifiers
PubChem CID
69071633
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
65.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Formal charge
0
Complexity
742
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HRID
112329
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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