Basic information
- CAS
78613-16-8- Standard SMILES
O=C(O)CSc1nnc(CC(c2ccccc2)c2ccccc2)o1- InChIKey
JEYFDNUXHGCEPA-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3S
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.08816355
Names & identifiers
- Preferred name
- Acetic acid, 2-((5-(alpha-phenylphenethyl)-1,3,4-oxadiazol-2-yl)thio)-
- IUPAC
- 2-[[5-(2,2-diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Names & synonyms
78613-16-8ACETIC ACID, 2-((5-(alpha-PHENYLPHENETHYL)-1,3,4-OXADIAZOL-2-YL)THIO)-5-(1',2'-Diphenylethyl)-1,3,4-oxadiazol-2-ylthioacetic acidDTXSID702292062-((5-(alpha-Phenylphenethyl)-1,3,4-oxadiazol-2-yl)thio)acetic acidRefChem:316408DTXCID50151697{[5-(2,2-Diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
Database identifiers
- CAS
78613-16-8- PubChem CID
- 54253
- DTXSID
DTXSID70229206
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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