Basic information
- Standard SMILES
CCN(CC)CCCNc1nn(CCC(C)N(C)C)c2ccc(Cl)cc12.Cl.Cl- InChIKey
QKEJYUMOYYBERZ-UHFFFAOYSA-N- Molecular formula
- C20H36Cl3N5
- Average molar mass
- 452.9 g/mol
Names & identifiers
- Preferred name
- 1-(3-Dimethylaminobutyl)-3-(3-diethylaminopropylamino)5-chloroindazole dihydrochloric acid
- IUPAC
- N-[5-chloro-1-[3-(dimethylamino)butyl]indazol-3-yl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
Names & synonyms
SCHEMBL10371354QKEJYUMOYYBERZ-UHFFFAOYSA-N1-(3-dimethylaminobutyl)-3-(3-diethylaminopropylamino)-5-chloroindazole dihydrochloric acid1-(3-dimethylaminobutyl)-3-(3-diethylaminopropylamino)5-chloroindazole dihydrochloric acid
Database identifiers
- PubChem CID
- 20135870
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Compound notes
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