Basic information
- Standard SMILES
Cc1ccc2nc(Nc3ccc(CC(=O)O)cc3Cl)sc2c1- InChIKey
LFSZECNYVZJKGI-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2S
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0386265
Names & identifiers
- Preferred name
- (3-Chloro-4-(6-methyl-2-benzothiazolyl)aminophenyl)acetic acid
- IUPAC
- 2-[3-chloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid
Names & synonyms
SCHEMBL2438239LFSZECNYVZJKGI-UHFFFAOYSA-N(3-chloro-4-(6-methyl-2-benzothiazolyl)aminophenyl)acetic acid
Database identifiers
- PubChem CID
- 17858843
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
2 records
Compound notes
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