3'-((2-Cyclopentyl-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yloxy)methyl)-5-fluorobiphenyl-3-carboxylic acid
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Basic information
- Standard SMILES
O=C(O)c1cc(F)cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)c1- InChIKey
KTQHLMNMVKMDII-UHFFFAOYSA-N- Molecular formula
- C26H22FNO4S
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.12535752
Names & identifiers
- Preferred name
- 3'-((2-Cyclopentyl-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yloxy)methyl)-5-fluorobiphenyl-3-carboxylic acid
- IUPAC
- 3-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-5-fluorobenzoic acid
Names & synonyms
SCHEMBL787264KTQHLMNMVKMDII-UHFFFAOYSA-N3'-((2-Cyclopentyl-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yloxy)methyl)-5-fluorobiphenyl-3-carboxylic acid
Database identifiers
- PubChem CID
- 53390752
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 716
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Related reactions
1 records
Compound notes
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