Basic information
- Standard SMILES
CC(C)Oc1cc(CS(=O)(=O)c2ccccc2F)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1- InChIKey
DKHOWBFULFGNPC-UHFFFAOYSA-N- Molecular formula
- C23H21FN2O6S
- Average molar mass
- 472.5 g/mol
Names & identifiers
- Preferred name
- 2-[3-Isopropyloxy-5-(2-fluorophenysulfonylmethyl)benzoylamino]-5-pridine carboxlic acid
- IUPAC
- 6-[[3-[(2-fluorophenyl)sulfonylmethyl]-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL5452627DKHOWBFULFGNPC-UHFFFAOYSA-N2-[3-isopropyloxy-5-(2-fluorophenylsulfonylmethyl)benzoylamino]-5-pyridine carboxylic acid2-[3-isopropyloxy-5-(2-fluorophenysulfonylmethyl)benzoylamino]-5-pridine carboxlic acid
Database identifiers
- PubChem CID
- 9826068
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 786
Related reactions
2 records
Compound notes
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