1-N,4-N-bis[(E)-(3-chlorophenyl)methylideneamino]phthalazine-1,4-diamine
Basic information
- CAS
27702-19-8- Standard SMILES
Clc1cccc(/C=N/Nc2nnc(N/N=C/c3cccc(Cl)c3)c3ccccc23)c1- InChIKey
CYKZGUGAOIRLRS-BKHCZYBLSA-N- Molecular formula
- C22H16Cl2N6
- Average molar mass
- 435.3 g/mol
- Monoisotopic mass
- 434.0813499
Names & identifiers
- Preferred name
- 1-N,4-N-bis[(E)-(3-chlorophenyl)methylideneamino]phthalazine-1,4-diamine
- IUPAC
- 1-N,4-N-bis[(E)-(3-chlorophenyl)methylideneamino]phthalazine-1,4-diamine
Names & synonyms
27702-19-8NSC103850NSC-103850
Database identifiers
- CAS
27702-19-8- PubChem CID
- 9568412
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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