Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate

HCID 52296

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Basic information

CAS: 73728-44-6
Standard SMILES: CC[NH+](CC)CCCCCCNc1cc(OC)cc2scnc12.O=C([O-])C(=O)O
InChIKey: AHCDMQLWEBVOTN-UHFFFAOYSA-N
Molecular formula: C20H31N3O5S
Average molar mass: 425.5 g/mol
Monoisotopic mass: 425.19844227

Names & identifiers

Preferred name: Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate
IUPAC: diethyl-[6-[(6-methoxy-1,3-benzothiazol-4-yl)amino]hexyl]azanium;2-hydroxy-2-oxoacetate

Names & synonyms

BENZOTHIAZOLE, 4-((6-(DIETHYLAMINO)HEXYL)AMINO)-6-METHOXY-, OXALATERefChem:10793634-((6-(Diethylamino)hexyl)amino)-6-methoxybenzothiazole oxalateNSC 883751,6-Hexanediamine, N,N-diethyl-N'-(6-methoxy-4-benzothiazolyl)-, ethanedioate (1:1)

Database identifiers

CAS: 73728-44-6
PubChem CID: 52296

Properties

Computed structural properties

Topological polar surface area: 144 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 29
Formal charge: 0
Complexity: 393

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