(4-Chloro-2-oxo-benzothiazol-3-YL)-acetic acid 2-methoxy-phenyl ester
Basic information
- CAS
154184-03-9- Standard SMILES
COc1ccccc1OC(=O)Cn1c(=O)sc2cccc(Cl)c21- InChIKey
MOWCYEXGAJBZHD-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO4S
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0175567
Names & identifiers
- Preferred name
- (4-Chloro-2-oxo-benzothiazol-3-YL)-acetic acid 2-methoxy-phenyl ester
- IUPAC
- (2-methoxyphenyl) 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
Names & synonyms
Oprea1_778340CHEMBL5021709AKOS0243426822-methoxyphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate(4-CHLORO-2-OXO-BENZOTHIAZOL-3-YL)-ACETIC ACID 2-METHOXY-PHENYL ESTER
Database identifiers
- CAS
154184-03-9- PubChem CID
- 4990073
- ChEMBL
CHEMBL5021709- EC Number
- 151-786-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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