2-{3-[4-(3-Methylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-isoindole-1,3-dione

HCID 14280598

Notes Reactions

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Basic information

Standard SMILES: CSc1cccc(N2CCN(CCCON3C(=O)c4ccccc4C3=O)CC2)c1
InChIKey: ZENCDLVFNDSOEU-UHFFFAOYSA-N
Molecular formula: C22H25N3O3S
Average molar mass: 411.5 g/mol

Names & identifiers

Preferred name: 2-{3-[4-(3-Methylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-isoindole-1,3-dione
IUPAC: 2-[3-[4-(3-methylsulfanylphenyl)piperazin-1-yl]propoxy]isoindole-1,3-dione

Names & synonyms

CHEMBL10194SCHEMBL10518905ZENCDLVFNDSOEU-UHFFFAOYSA-NBDBM50007479N-[3-[4-(3-Methylthiophenyl)-1-piperazinyl]propyloxy]phthalimide2-{3-[4-(3-Methylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-isoindole-1,3-dione

Database identifiers

PubChem CID: 14280598
ChEMBL: CHEMBL10194
Nikkaji: J380.635I

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 558

Related reactions

2 records

New reaction record

HRID 868553As productuspto-grants-1988_10

HRID 1761440As productuspto-grants-1989_05

Compound notes

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