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

HCID 91049

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 23905-07-9
Standard SMILES: Clc1ccc(C(SCCN2CCN(c3nccs3)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
InChIKey: FKPQVJLAFCLIJG-UHFFFAOYSA-N
Molecular formula: C24H26ClN3O4S2
Average molar mass: 520.1 g/mol
Monoisotopic mass: 519.1053264

Names & identifiers

Preferred name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-thiazolyl)-, oxalate
IUPAC: 2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]-1,3-thiazole;oxalic acid

Names & synonyms

23905-07-91-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(2-thiazolyl)piperazine oxalatePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-thiazolyl)-, oxalateRefChem:372008DTXSID50946727Oxalic acid--1-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-(1,3-thiazol-2-yl)piperazine (1/1)

Database identifiers

CAS: 23905-07-9
PubChem CID: 91049
DTXSID: DTXSID50946727

Properties

Computed structural properties

Topological polar surface area: 148 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 519

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…