N-[3-(Dimethylamino)propyl]-N-1,3-dioxolo[4,5-f]benzothiazol-6-yl-3,5-dimethoxybenzamide

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Basic information

CAS: 921146-80-7
Standard SMILES: COc1cc(OC)cc(C(=O)N(CCCN(C)C)c2nc3cc4c(cc3s2)OCO4)c1
InChIKey: KQSMFXIWOYIGCQ-UHFFFAOYSA-N
Molecular formula: C22H25N3O5S
Average molar mass: 443.5 g/mol
Monoisotopic mass: 443.15149208

Names & identifiers

Preferred name: N-[3-(Dimethylamino)propyl]-N-1,3-dioxolo[4,5-f]benzothiazol-6-yl-3,5-dimethoxybenzamide
IUPAC: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3,5-dimethoxybenzamide

Names & synonyms

DTXSID801124578N-[3-(Dimethylamino)propyl]-N-1,3-dioxolo[4,5-f]benzothiazol-6-yl-3,5-dimethoxybenzamide921146-80-7N-[3-(Dimethylamino)propyl]-N-(2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3,5-dimethoxybenzamide

Database identifiers

CAS: 921146-80-7
PubChem CID: 41347724
DTXSID: DTXSID801124578

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 102 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 600

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Compound notes

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