Basic information
- CAS
604760-51-2- Standard SMILES
Cc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1- InChIKey
AAQJAJYYYBNGNE-UHFFFAOYSA-N- Molecular formula
- C21H22N4O2S
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.14634713
Overview
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone is a member of piperazines.
Names & identifiers
- Preferred name
- 2-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
- IUPAC
- 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
- English name
- Piperazine, 1-[[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-4-phenyl- (9CI)
- Molecular formula
- C21H22N4O2S
- Molecular weight
- 394.49
Names & synonyms
604760-51-2MLS0000741582-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanonePiperazine, 1-[[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-4-phenyl- (9CI)SMR0000137631-(4-Phenyl-piperazin-1-yl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanonecid_656344CHEMBL1367530BDBM89558CHEBI:123283
Show more names
Ethanone, 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)-
DTXSID901352352HMS2323C18STL124041AKOS000671788DB-288637ST50280139Q27212989F0594-0085
Database identifiers
- CAS
604760-51-2- PubChem CID
- 656344
- DTXSID
DTXSID901352352- ChEMBL
CHEMBL1367530- ChEBI
CHEBI:123283
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Additional notes
DefinitionChEBI: 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone is a member of piperazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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