Basic information
- CAS
802858-72-6- Standard SMILES
CCN(CC)CCSc1c2c(nc3ccc(Cl)cc13)CCCCC2- InChIKey
WVCJXVUCVOAKGK-UHFFFAOYSA-N- Molecular formula
- C20H27ClN2S
- Average molar mass
- 363 g/mol
- Monoisotopic mass
- 362.1583477
Names & identifiers
- Preferred name
- 2-[(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)thio]-N,N-diethylethanamine
- IUPAC
- 2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-diethylethanamine
Names & synonyms
2-[(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)thio]-N,N-diethylethanamine802858-72-6DTXSID009403312-[(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-diethylethan-1-amine
Database identifiers
- CAS
802858-72-6- PubChem CID
- 29290
- DTXSID
DTXSID00940331
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…