Basic information
- CAS
22272-10-2- Standard SMILES
O=C1C(Cl)=C(NCCCCCCNC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21- InChIKey
PLWFXPZIFGWMIB-UHFFFAOYSA-N- Molecular formula
- C26H22Cl2N2O4
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 496.0956626
Names & identifiers
- Preferred name
- 2,2'-(Hexane-1,6-diyldiimino)bis(3-chloronaphthalene-1,4-dione)
- IUPAC
- 2-chloro-3-[6-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]hexylamino]naphthalene-1,4-dione
Names & synonyms
22272-10-22,2'-(hexane-1,6-diyldiimino)bis(3-chloronaphthalene-1,4-dione)DTXSID90295943RefChem:242104DTXCID70247081CHEMBL4741600NSC106441BDBM50548272NSC-1064412,2'-[Hexane-1,6-diylbis(azanediyl)]bis(3-chloronaphthalene-1,4-dione)
Database identifiers
- CAS
22272-10-2- PubChem CID
- 267285
- DTXSID
DTXSID90295943- ChEMBL
CHEMBL4741600
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 852
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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