Acetamide, N-(4,7-dimethoxy-6-(2-(4-methyl-1-piperazinyl)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrate (1:2:2.5)

HCID 47863

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Basic information

CAS: 66204-01-1
Standard SMILES: COc1c(NC(C)=O)c(OCCN2CCN(C)CC2)c(OC)c2occc12.Cl.Cl
InChIKey: YQBMBHWMHFOMSP-UHFFFAOYSA-N
Molecular formula: C19H29Cl2N3O5
Average molar mass: 450.4 g/mol
Monoisotopic mass: 449.1484264

Names & identifiers

Preferred name: Acetamide, N-(4,7-dimethoxy-6-(2-(4-methyl-1-piperazinyl)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrate (1:2:2.5)
IUPAC: N-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]acetamide;dihydrochloride

Names & synonyms

66204-01-1Acetamide, N-(4,7-dimethoxy-6-(2-(4-methyl-1-piperazinyl)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrate (1:2:2.5)DTXSID90216395RefChem:315217DTXCID90138886N-{4,7-Dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl}acetamide--hydrogen chloride (1/2)

Database identifiers

CAS: 66204-01-1
PubChem CID: 47863
DTXSID: DTXSID90216395

Properties

Computed structural properties

Topological polar surface area: 76.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 486

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