Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-phenyl-, oxalate

HCID 91002

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Basic information

CAS: 23892-69-5
Standard SMILES: Clc1ccc(C(SCCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
InChIKey: DBYVHXWWAGOIEC-UHFFFAOYSA-N
Molecular formula: C27H29ClN2O4S
Average molar mass: 513 g/mol
Monoisotopic mass: 512.1536563

Names & identifiers

Preferred name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-phenyl-, oxalate
IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-phenylpiperazine;oxalic acid

Names & synonyms

23892-69-51-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-phenylpiperazine oxalatePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-phenyl-, oxalateRefChem:372012DTXSID40946690Oxalic acid--1-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-phenylpiperazine (1/1)

Database identifiers

CAS: 23892-69-5
PubChem CID: 91002
DTXSID: DTXSID40946690

Properties

Computed structural properties

Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 519

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