1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methylthioxanthen-9-one
Basic information
- CAS
65939-82-4- Standard SMILES
Cc1ccc(NCC2CCCN3CCCCC23)c2c(=O)c3ccccc3sc12- InChIKey
APONJQVTYXVQAO-UHFFFAOYSA-N- Molecular formula
- C24H28N2OS
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.19223469
Names & identifiers
- Preferred name
- 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methylthioxanthen-9-one
- IUPAC
- 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methylthioxanthen-9-one
Names & synonyms
65939-82-4NSC3205581-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methylthioxanthen-9-oneDTXSID40317785NSC-3205584-Methyl-1-{[(octahydro-2H-quinolizin-1-yl)methyl]amino}-9H-thioxanthen-9-one
Database identifiers
- CAS
65939-82-4- PubChem CID
- 330896
- DTXSID
DTXSID40317785
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
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Compound notes
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