7-(4-p-Tolyl-piperazin-1-ylmethyl)-chromen-2-one

HCID 9949554
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Basic information

Standard SMILES
Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1
InChIKey
ODBPJVULVALJHE-UHFFFAOYSA-N
Molecular formula
C21H22N2O2
Average molar mass
334.4 g/mol
Monoisotopic mass
334.16812795

Names & identifiers

Preferred name
7-(4-p-Tolyl-piperazin-1-ylmethyl)-chromen-2-one
IUPAC
7-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-2-one

Names & synonyms

CHEMBL1248357-(4-p-Tolyl-piperazin-1-ylmethyl)-chromen-2-oneSCHEMBL8431572ODBPJVULVALJHE-UHFFFAOYSA-NBDBM50080790

Database identifiers

PubChem CID
9949554
ChEMBL
CHEMBL124835
Nikkaji
J1.184.165A

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

Related reactions

1 records
New reaction record

Compound notes

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