Basic information
- CAS
57323-26-9- Standard SMILES
CNC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O- InChIKey
AKNPRVBUVDARPT-RBHXEPJQSA-N- Molecular formula
- C17H18ClNO5
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0873504
Names & identifiers
- Preferred name
- Spiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione, 7-chloro-4,6-dimethoxy-6a(2)-methyl-2a(2)-(methylamino)-, (2S-trans)-
- IUPAC
- (2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(methylamino)spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Names & synonyms
DTXSID50110585657323-26-9Spiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione, 7-chloro-4,6-dimethoxy-6a(2)-methyl-2a(2)-(methylamino)-, (2S-trans)-
Database identifiers
- CAS
57323-26-9- PubChem CID
- 165367151
- DTXSID
DTXSID501105856
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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