N-(4-benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine
Basic information
- CAS
5431-71-0- Standard SMILES
CCN(CC)CCCNc1cccc2c(SCc3ccccc3)ccnc12- InChIKey
HRNGEYSSMHIOAU-UHFFFAOYSA-N- Molecular formula
- C23H29N3S
- Average molar mass
- 379.6 g/mol
- Monoisotopic mass
- 379.20821911
Names & identifiers
- Preferred name
- N-(4-benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine
- IUPAC
- N-(4-benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine
Names & synonyms
5431-71-0NSC13628DTXSID70969377NSC-13628DS-011591N-(4-benzylsulfanylquinolin-8-yl)-n,n-diethyl-propane-1,3-diamineN~3~-[4-(Benzylsulfanyl)quinolin-8-yl]-N~1~,N~1~-diethylpropane-1,3-diamine
Database identifiers
- CAS
5431-71-0- PubChem CID
- 224815
- DTXSID
DTXSID70969377
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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