Acetophenone, 2-(4-(2-thiazolyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

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Basic information

CAS: 17755-67-8
Standard SMILES: COc1cc(C(=O)CN2CCN(c3nccs3)CC2)cc(OC)c1OC.Cl.Cl
InChIKey: MDHCSXMLHMRYTI-UHFFFAOYSA-N
Molecular formula: C18H25Cl2N3O4S
Average molar mass: 450.4 g/mol
Monoisotopic mass: 449.0942828

Names & identifiers

Preferred name: Acetophenone, 2-(4-(2-thiazolyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
IUPAC: 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride

Names & synonyms

Acetophenone, 2-(4-(2-thiazolyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride17755-67-8DTXSID001703331-(2-Thiazolyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazine dihydrochloride2-(4-(2-Thiazolyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloridePiperazine, 1-(2-thiazolyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochlorideRefChem:316903DTXCID50928242-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen chloride (1/2)

Database identifiers

CAS: 17755-67-8
PubChem CID: 28739
DTXSID: DTXSID00170333

Properties

Computed structural properties

Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 448

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Compound notes

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