Basic information
- CAS
886779-88-0- Standard SMILES
Cc1cc(C=C2SC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1- InChIKey
USYAIJAFARGRCJ-UHFFFAOYSA-N- Molecular formula
- C19H16N2O6S
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.07290741
Names & identifiers
- Preferred name
- 5-[2,5-Dimethyl-3-[(3-methyl-2,4-dioxo-5-thiazolidinylidene)methyl]-1H-pyrrol-1-yl]-1,3-benzenedicarboxylic acid
- IUPAC
- 5-[2,5-dimethyl-3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid
Names & synonyms
DTXSID9011078425-[2,5-Dimethyl-3-[(3-methyl-2,4-dioxo-5-thiazolidinylidene)methyl]-1H-pyrrol-1-yl]-1,3-benzenedicarboxylic acid886779-88-0
Database identifiers
- CAS
886779-88-0- PubChem CID
- 165367355
- DTXSID
DTXSID901107842
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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