2-Ethoxy-3,6-bis(heptylamino)-5-methylcyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
71376-46-0- Standard SMILES
CCCCCCCNC1=C(C)C(=O)C(NCCCCCCC)=C(OCC)C1=O- InChIKey
CDMKGZXAJSIKFQ-UHFFFAOYSA-N- Molecular formula
- C23H40N2O3
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.30389314
Names & identifiers
- Preferred name
- 2-Ethoxy-3,6-bis(heptylamino)-5-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-ethoxy-3,6-bis(heptylamino)-5-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
71376-46-0NSC2763922-ethoxy-3,6-bis(heptylamino)-5-methylcyclohexa-2,5-diene-1,4-dioneDTXSID60313749NSC-276392
Database identifiers
- CAS
71376-46-0- PubChem CID
- 321893
- DTXSID
DTXSID60313749
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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