Basic information
- CAS
4935-41-5- Standard SMILES
O=C1CC2(CCC(O)(c3ccco3)C(C(=O)c3ccco3)C2)C(=O)c2ccccc2N1- InChIKey
QOIBTJCCEGZCMA-UHFFFAOYSA-N- Molecular formula
- C24H21NO6
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.13688739
Names & identifiers
- Preferred name
- 2'-(Furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
- IUPAC
- 2'-(furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
Names & synonyms
NSC6827594935-41-5CHEMBL2001185DTXSID50327759NSC-682759NCI60_0296492'-(furan-2-carbonyl)-1'-(2-furyl)-1'-hydroxy-spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione3'-(Furan-2-carbonyl)-4'-(furan-2-yl)-4'-hydroxyspiro[[1]benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dioneSpiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-(2-furanyl)-3'-(2-furanylcarbonyl)-4'-hydroxy-
Database identifiers
- CAS
4935-41-5- PubChem CID
- 388191
- DTXSID
DTXSID50327759- ChEMBL
CHEMBL2001185
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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