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

HCID 91043

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 23905-04-6
Standard SMILES: Cc1cccc(N2CCN(CCSC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.O=C(O)C(=O)O
InChIKey: LFNHREFOQFTAFU-UHFFFAOYSA-N
Molecular formula: C28H31ClN2O4S
Average molar mass: 527.1 g/mol
Monoisotopic mass: 526.1693063

Names & identifiers

Preferred name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(m-tolyl)-, oxalate
IUPAC: 1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(3-methylphenyl)piperazine;oxalic acid

Names & synonyms

23905-04-61-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(m-tolyl)piperazine oxalatePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(m-tolyl)-, oxalateRefChem:372009DTXSID70946724Oxalic acid--1-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-(3-methylphenyl)piperazine (1/1)

Database identifiers

CAS: 23905-04-6
PubChem CID: 91043
DTXSID: DTXSID70946724

Properties

Computed structural properties

Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 553

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…