Basic information
- Standard SMILES
O=C(O)Cc1cc(Cl)c(Nc2nc3cc(F)ccc3s2)cc1F- InChIKey
BAHIENOOSXYQHT-UHFFFAOYSA-N- Molecular formula
- C15H9ClF2N2O2S
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.0041327
Names & identifiers
- Preferred name
- (5-Chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl)acetic acid
- IUPAC
- 2-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid
Names & synonyms
(5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl)acetic acid[5-Chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl]acetic acidSCHEMBL2435002BAHIENOOSXYQHT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 17859016
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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