1-[4-Methoxy-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
Basic information
- CAS
571150-19-1- Standard SMILES
COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)o1- InChIKey
AOOPDDVZDUMXBX-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.08341252
Names & identifiers
- Preferred name
- 1-[4-Methoxy-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
- IUPAC
- 1-[4-methoxy-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
Names & synonyms
1-[4-methoxy-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanoneMLS001176995CHEMBL1733912DTXSID701320595HMS2881P19AKOS033772925571150-19-1SMR000588863SR-01000043678SR-01000043678-1Z214856751-[4-methoxy-3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)phenyl]ethan-1-one
Database identifiers
- CAS
571150-19-1- PubChem CID
- 2399072
- DTXSID
DTXSID701320595- ChEMBL
CHEMBL1733912
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility28.7 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…