4-[1-(2-Bromo-3-phenyl-allyl)-piperidin-4-ylamino]-6-chloro-chromen-2-One

HCID 73712315
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Basic information

Standard SMILES
O=c1cc(NC2CCN(CC(Br)=Cc3ccccc3)CC2)c2cc(Cl)ccc2o1
InChIKey
PMKFDPDQNZHGRL-UHFFFAOYSA-N
Molecular formula
C23H22BrClN2O2
Average molar mass
473.8 g/mol
Monoisotopic mass
472.05532

Names & identifiers

Preferred name
4-[1-(2-Bromo-3-phenyl-allyl)-piperidin-4-ylamino]-6-chloro-chromen-2-One
IUPAC
4-[[1-(2-bromo-3-phenylprop-2-enyl)piperidin-4-yl]amino]-6-chlorochromen-2-one

Names & synonyms

SCHEMBL6186113PMKFDPDQNZHGRL-UHFFFAOYSA-N4-[1-(2-Bromo-3-phenyl-allyl)-piperidin-4-ylamino]-6-chloro-chromen-2-One

Database identifiers

PubChem CID
73712315

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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