N-ethyl-9,10,10-trioxo-N-(pyridin-4-ylmethyl)thioxanthene-3-carboxamide
Basic information
- CAS
325832-86-8- Standard SMILES
CCN(Cc1ccncc1)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O- InChIKey
VCSKTRYCUQXOEC-UHFFFAOYSA-N- Molecular formula
- C22H18N2O4S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.09872823
Names & identifiers
- Preferred name
- N-ethyl-9,10,10-trioxo-N-(pyridin-4-ylmethyl)thioxanthene-3-carboxamide
- IUPAC
- N-ethyl-9,10,10-trioxo-N-(pyridin-4-ylmethyl)thioxanthene-3-carboxamide
Names & synonyms
N-ethyl-9,10,10-trioxo-N-(pyridin-4-ylmethyl)thioxanthene-3-carboxamideOprea1_246800MLS001018776CHEMBL1491125DTXSID401323552HMS2665G17AKOS034453132325832-86-8SMR000363302Z56776888N-Ethyl-9,10,10-trioxo-N-[(pyridin-4-yl)methyl]-9,10-dihydro-10lambda~6~-thioxanthene-3-carboxamide
Database identifiers
- CAS
325832-86-8- PubChem CID
- 4626397
- DTXSID
DTXSID401323552- ChEMBL
CHEMBL1491125
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 726
Experimental & physicochemical properties
Solubility42 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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