1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-
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Basic information
- CAS
78613-15-7- Standard SMILES
COc1ccc(CC(c2ccc(OC)c(OC)c2)c2n[nH]c(=S)o2)cc1OC- InChIKey
BADNWWMCZDWIOR-UHFFFAOYSA-N- Molecular formula
- C20H22N2O5S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.12494298
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-
- IUPAC
- 5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
- Molecular formula
- C20H22N2O5S
- Molecular weight
- 0
Names & synonyms
78613-15-75-(1,2-Bis(3,4-dimethoxyphenyl)ethyl)-1,3,4-oxadiazole-2(3H)-thione1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-RefChem:2169515-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thioneDTXSID50999899AKOS015901593DB-2959215-[1,2-Bis(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-thiol
Database identifiers
- CAS
78613-15-7- PubChem CID
- 3061065
- DTXSID
DTXSID50999899
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
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Compound notes
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