Basic information
- CAS
65151-70-4- Standard SMILES
Cc1ccc2nc(-c3ccc4nc(C5C(=O)c6ccc(C(=O)O)cc6C5=O)ccc4c3)sc2c1S(=O)(=O)O- InChIKey
UIOFMZLXXNZIKD-UHFFFAOYSA-N- Molecular formula
- C27H16N2O7S2
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.0398932
Names & identifiers
- Preferred name
- 2-[6-(6-Methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid
- IUPAC
- 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid
- English name
- 1,3-Dioxo-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-2,3-dihydro-1H-indene-5-carboxylic acid
- Molecular weight
- 0
Names & synonyms
2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acidDTXSID602758182-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid65151-70-42,3-Dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-1H-indene-5-carboxylic acid1,3-Dioxo-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-2,3-dihydro-1H-indene-5-carboxylic acid
Database identifiers
- CAS
65151-70-4- PubChem CID
- 85349
- DTXSID
DTXSID60275818- Nikkaji
- J294.579G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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