Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCN(CC)C1CCC(Nc2c(S(C)(=O)=O)cnc3ccc(Br)cc23)CC1- InChIKey
LKUWRGTWTITFMB-UHFFFAOYSA-N- Molecular formula
- C20H28BrN3O2S
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 453.10856
Names & identifiers
- Preferred name
- N1-[6-Bromo-3-(methylsulfonyl)quinolin-4-yl]-N4,N4-diethylcyclohexane-1,4-diamine
- IUPAC
- 1-N-(6-bromo-3-methylsulfonylquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine
Names & synonyms
SCHEMBL10282069LKUWRGTWTITFMB-UHFFFAOYSA-NN1-[6-Bromo-3-(methylsulfonyl)quinolin-4-yl]-N4,N4-diethylcyclohexane-1,4-diamine
Database identifiers
- PubChem CID
- 68092001
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
Loading…