2,5-Bis(2-ethoxyanilino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
16950-82-6- Standard SMILES
CCOc1ccccc1NC1=C(OC)C(=O)C(Nc2ccccc2OCC)=C(OC)C1=O- InChIKey
OESPDKXCNNEVFH-UHFFFAOYSA-N- Molecular formula
- C24H26N2O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.17908655
Names & identifiers
- Preferred name
- 2,5-Bis(2-ethoxyanilino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(2-ethoxyanilino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
MLS00270377416950-82-6NSC1034112,5-bis(2-ethoxyanilino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dioneCHEMBL1722713DTXSID40295635NSC-103411SMR001570489
Database identifiers
- CAS
16950-82-6- PubChem CID
- 266191
- DTXSID
DTXSID40295635- ChEMBL
CHEMBL1722713
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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