Basic information
- CAS
5431-73-2- Standard SMILES
CCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1- InChIKey
HMWGASGKQAVXQS-UHFFFAOYSA-N- Molecular formula
- C24H28Cl3N3
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 463.134881
Names & identifiers
- Preferred name
- N-(7-chloro-3-methylquinolin-4-yl)-2-(3,4-dichlorophenyl)-N',N'-diethylbutane-1,4-diamine
- IUPAC
- N-(7-chloro-3-methylquinolin-4-yl)-2-(3,4-dichlorophenyl)-N',N'-diethylbutane-1,4-diamine
Names & synonyms
NSC13630NSC-13630
Database identifiers
- CAS
5431-73-2- PubChem CID
- 224816
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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