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Basic information
- Standard SMILES
CCN(CC)Cc1c(OC)ccc2c(=O)c3ccccc3sc12- InChIKey
WBIBZHJSOSLORW-UHFFFAOYSA-N- Molecular formula
- C19H21NO2S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.12930009
Names & identifiers
- Preferred name
- 4-(Diethylaminomethyl)-3-methoxythioxanthen-9-one
- IUPAC
- 4-(diethylaminomethyl)-3-methoxythioxanthen-9-one
Database identifiers
- PubChem CID
- 207249
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
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Compound notes
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