1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-2-ylmethyl)piperazine

HCID 11237358

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIKey: AFNPURCEUOYCIM-UHFFFAOYSA-N
Molecular formula: C26H27Cl2N3O3
Average molar mass: 500.4 g/mol

Names & identifiers

Preferred name: 1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-2-ylmethyl)piperazine
IUPAC: [3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Names & synonyms

3-Oxybenzamide 67CHEMBL373089SCHEMBL6066544BDBM13681AFNPURCEUOYCIM-UHFFFAOYSA-N{3-[2-(2,4-Dichlorophenyl)-Ethoxy]-4-Methoxy-Phenyl}-(4-Pyridin-2-Ylmethyl-Piperazin-1-yl)-Methanone1-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-2-ylmethyl)piperazine

Database identifiers

PubChem CID: 11237358
ChEMBL: CHEMBL373089

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 634

Related reactions

3 records

New reaction record

HRID 967420As productuspto-grants-2005_10

HRID 1831755As productuspto-grants-2006_06

HRID 2326634As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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