2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
Basic information
- CAS
562866-60-8- Standard SMILES
Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2F)no1- InChIKey
VYXNUUXOJUMONB-UHFFFAOYSA-N- Molecular formula
- C13H11FN6O2S
- Average molar mass
- 334.33 g/mol
- Monoisotopic mass
- 334.06482295
Names & identifiers
- Preferred name
- 2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
- IUPAC
- 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Names & synonyms
562866-60-82-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide2-{[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide2-{[1-(2-FLUOROPHENYL)-1,2,3,4-TETRAZOL-5-YL]SULFANYL}-N-(5-METHYL-1,2-OXAZOL-3-YL)ACETAMIDEOprea1_295901Oprea1_459066MLS001219739SCHEMBL6280499CHEMBL1411138DTXSID901321987
Show more names
HMS2915G10STL022526AKOS000653632SMR000612066ST45178851ST50142471VU0507858-1AS-871/43352256
Database identifiers
- CAS
562866-60-8- PubChem CID
- 858892
- DTXSID
DTXSID901321987- ChEMBL
CHEMBL1411138
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility7.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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