4-hydroxy-3-methoxy-N-[(5E)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Basic information
- CAS
301227-53-2- Standard SMILES
COc1cc(C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)ccc1O- InChIKey
OGDABZIMXIYUMA-UHFFFAOYSA-N- Molecular formula
- C19H13N3O5S2
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.02966287
Names & identifiers
- Preferred name
- 4-hydroxy-3-methoxy-N-[(5E)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
- IUPAC
- 4-hydroxy-N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-3-methoxybenzamide
Names & synonyms
MLS0007772484-hydroxy-3-methoxy-N-[(5E)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide301227-53-2SMR000413643(E)-4-hydroxy-3-methoxy-N-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)benzamide4-Hydroxy-3-methoxy-N-{4-oxo-5-[2-oxo-1,2-dihydro-indol-(3E)-ylidene]-2-thioxo-thiazolidin-3-yl}-benza mideChemDiv1_007770Oprea1_131204Oprea1_164406CHEMBL1392573BDBM76197cid_5543154
Show more names
HMS609B04DTXSID101330924HMS2767O15STK865701AKOS001028915AKOS002345528AKOS034449429ST50054738
Database identifiers
- CAS
301227-53-2- PubChem CID
- 1567097
- DTXSID
DTXSID101330924- ChEMBL
CHEMBL1392573
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 949
Experimental & physicochemical properties
Solubility26.6 [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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