N-benzyl-2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Basic information
- CAS
4512-15-6- Standard SMILES
O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)NCc1ccccc1- InChIKey
OZFWIKGJXBWLNH-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3O2S2
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.0215967
Names & identifiers
- Preferred name
- N-benzyl-2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
- IUPAC
- N-benzyl-2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Names & synonyms
496028-82-1N-benzyl-2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamideZINC1295567N-benzyl-2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide4512-15-6N-benzyl-2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamideDTXSID10362823MFCD03299933STK842931ZINC01295567AKOS002167513ZINC000001295567
Show more names
ST50049140F1263-0005C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)ClNbenzyl2((5(3chloro1benzothiophen2yl)134oxadiazol2yl)sulfanyl)acetamide2(5(3CHLOROBENZO(B)THIOPHEN2YL)(134OXADIAZOL2YLTHIO))NBENZYLACETAMIDE2-[5-(3-chlorobenzo[b]thiophen-2-yl)(1,3,4-oxadiazol-2-ylthio)]-N-benzylacetam ideNBENZYL2((5(3CHLOROBENZO(B)THIOPHEN2YL)134OXADIAZOL2YL)THIO)ACETAMIDE
Database identifiers
- CAS
4512-15-6- PubChem CID
- 1415313
- DTXSID
DTXSID10362823
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…