1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Basic information
- CAS
6061-21-8- Standard SMILES
COc1ccc(Cl)cc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(C)cc3)C(=O)C12- InChIKey
UQUJGCNSYQQTBP-UHFFFAOYSA-N- Molecular formula
- C28H20ClNO6
- Average molar mass
- 501.9 g/mol
- Monoisotopic mass
- 501.0979151
Names & identifiers
- Preferred name
- 1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
- IUPAC
- 1-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
- English name
- Ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate
- Molecular formula
- C8H9ClN2O3
- Molecular weight
- 216.62166
Names & synonyms
6061-21-83-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetroneAJ-292/142441161-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetroneOprea1_703432DTXSID40387201STL024624AKOS003596186AKOS0220933221-(5-chloro-2-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydrospiro(1H-furo[3,4-c]pyrrole-3,2'-[1'H]-indene)-1',3',4,6(2'H,3H,5H)-tetrone
Database identifiers
- CAS
6061-21-8- PubChem CID
- 2883646
- DTXSID
DTXSID40387201
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 936
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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