2-[N-[6-[1-(2,5-dihydroxyphenyl)ethylideneamino]hexyl]-C-methylcarbonimidoyl]benzene-1,4-diol
Basic information
- CAS
61909-97-5- Standard SMILES
CC(=NCCCCCCN=C(C)c1cc(O)ccc1O)c1cc(O)ccc1O- InChIKey
AXRDETRSRUTCQN-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.20490738
Names & identifiers
- Preferred name
- 2-[N-[6-[1-(2,5-dihydroxyphenyl)ethylideneamino]hexyl]-C-methylcarbonimidoyl]benzene-1,4-diol
- IUPAC
- 2-[N-[6-[1-(2,5-dihydroxyphenyl)ethylideneamino]hexyl]-C-methylcarbonimidoyl]benzene-1,4-diol
Names & synonyms
NSC35270961909-97-5CHEMBL1926978DTXSID70419569NSC-352709(6Z,6'Z)-6,6'-{Hexane-1,6-diylbis[azanediyl-(1Z)-ethan-1-yl-1-ylidene]}bis(4-hydroxycyclohexa-2,4-dien-1-one)
Database identifiers
- CAS
61909-97-5- PubChem CID
- 336863
- DTXSID
DTXSID70419569- ChEMBL
CHEMBL1926978
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 477
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Compound notes
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