3-[[4-[[2-Sulfanylidene-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Basic information
- CAS
70705-21-4- Standard SMILES
COc1cc(-c2nn(CN3CCN(Cn4nc(-c5cc(OC)c(OC)c(OC)c5)oc4=S)CC3)c(=S)o2)cc(OC)c1OC- InChIKey
OYVUQBAAQJIGTF-UHFFFAOYSA-N- Molecular formula
- C28H34N6O8S2
- Average molar mass
- 646.7 g/mol
- Monoisotopic mass
- 646.18795441
Names & identifiers
- Preferred name
- 3-[[4-[[2-Sulfanylidene-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
- IUPAC
- 3-[[4-[[2-sulfanylidene-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Names & synonyms
NSC33724770705-21-43-[[4-[[2-sulfanylidene-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione3,3'-[Piperazine-1,4-diylbis(methylene)]bis[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione]DTXSID60318835NSC-337247DS-0047013-[[4-[[2-thioxo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Database identifiers
- CAS
70705-21-4- PubChem CID
- 333699
- DTXSID
DTXSID60318835
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 969
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Compound notes
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