Basic information
- CAS
1217730-61-4- Standard SMILES
Cc1ccc(-c2noc(C3C4CC5OC(=O)C3C5C4)n2)cc1S(=O)(=O)N1CCOCC1- InChIKey
DUTYVKBDGPFYSH-UHFFFAOYSA-N- Molecular formula
- C21H23N3O6S
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.13075664
Names & identifiers
- Preferred name
- 7-{3-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}hexahydro-2H-3,5-methanocyclopenta[b]furan-2-one
- IUPAC
- 9-[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
Names & synonyms
1217730-61-47-{3-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}hexahydro-2H-3,5-methanocyclopenta[b]furan-2-one9-[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxatricyclo[4.2.1.03,7]nonan-5-oneDTXSID101105509STL570799AKOS003397524Hexahydro-7-[3-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-3,5-methano-2H-cyclopenta[b]furan-2-one
Database identifiers
- CAS
1217730-61-4- PubChem CID
- 43883166
- DTXSID
DTXSID101105509
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 827
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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