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1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine


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Chemical Component Summary

Name1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
Identifiers1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
FormulaC26 H28 Cl2 N4 O4
Molecular Weight531.431
TypeNON-POLYMER
Isomeric SMILESCC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
InChIInChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
InChIKeyXMAYWYJOQHXEEK-OZXSUGGESA-N

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count2
Bond Count68
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL75
PubChem 456201
ChEMBL CHEMBL75
ChEBI CHEBI:48336
CCDC/CSD ETEXAC, ETEXAC01, RADYAA, RADXED
COD 2203322