9-[5-(2-chlorophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
Basic information
- CAS
503427-33-6- Standard SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2Cl)o1- InChIKey
OPWOXWDHDBXTSO-UHFFFAOYSA-N- Molecular formula
- C27H28ClNO3
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 449.1757714
Names & identifiers
- Preferred name
- 9-[5-(2-chlorophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
- IUPAC
- 9-[5-(2-chlorophenyl)furan-2-yl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- English name
- 9-[5-(2-chlorophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
- Molecular formula
- C27H28ClNO3
- Molecular weight
- 449.96912
Names & synonyms
9-[5-(2-chlorophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedioneAE-641/13516013AKOS0243263249-[5-(2-chlorophenyl)furan-2-yl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Database identifiers
- CAS
503427-33-6- PubChem CID
- 983377
- EC Number
- 159-657-8
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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