1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(o-methoxyphenyl)piperazine oxalate

HCID 91039

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 23905-01-3
Standard SMILES: COc1ccccc1N1CCN(CCSC(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIKey: HUAMZFYWLPROBY-UHFFFAOYSA-N
Molecular formula: C28H31ClN2O5S
Average molar mass: 543.1 g/mol
Monoisotopic mass: 542.164221

Names & identifiers

Preferred name: 1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(o-methoxyphenyl)piperazine oxalate
IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(2-methoxyphenyl)piperazine;oxalic acid

Names & synonyms

1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(o-methoxyphenyl)piperazine oxalate23905-01-396956-76-2DTXSID60275878Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(o-methoxyphenyl)-, oxalateRefChem:223064DTXCID10227246Oxalic acid--1-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-(2-methoxyphenyl)piperazine (1/1)DTXSID50946722

Database identifiers

CAS: 23905-01-3、96956-76-2
PubChem CID: 91039
DTXSID: DTXSID50946722

Properties

Computed structural properties

Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 573

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…