2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide

HCID 5228181

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Basic information

CAS: 5729-21-5
Standard SMILES: CCOc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1
InChIKey: CCTJEDXOMYXXBB-UHFFFAOYSA-N
Molecular formula: C20H16ClN3O3S2
Average molar mass: 445.9 g/mol
Monoisotopic mass: 445.0321614

Names & identifiers

Preferred name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
IUPAC: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide

Names & synonyms

5729-21-52-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide2-{[5-(3-CHLORO-1-BENZOTHIOPHEN-2-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-N-(4-ETHOXYPHENYL)ACETAMIDEDTXSID60411597AKOS007961893T5402126Z21510419

Database identifiers

CAS: 5729-21-5
PubChem CID: 5228181
DTXSID: DTXSID60411597

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 131 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 553

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