Basic information
- CAS
665018-37-1- Standard SMILES
CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)o1- InChIKey
AQHIIKMITZSWQU-UHFFFAOYSA-N- Molecular formula
- C20H21N3O2S
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.13544809
Names & identifiers
- Preferred name
- 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
- IUPAC
- 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
- English name
- 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
- Molecular formula
- C20H21N3O2S
- Molecular weight
- 367.46
Names & synonyms
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamideSTK115794AKOS003669489AN-698/42116193665018-37-1Acetamide, N-(2-ethyl-6-methylphenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]-
Database identifiers
- CAS
665018-37-1- PubChem CID
- 1021681
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.79 · 12.79±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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