Basic information
- Standard SMILES
COc1cc2nc(-c3ccc(C(=O)O)cc3)sc2cc1OC- InChIKey
ZPOJDTDQUGDGJG-UHFFFAOYSA-N- Molecular formula
- C16H13NO4S
- Average molar mass
- 315.3 g/mol
Names & identifiers
- Preferred name
- 4-(5,6-Dimethoxybenzothiazolyl)benzoic acid
- IUPAC
- 4-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzoic acid
Names & synonyms
SCHEMBL6946336ZPOJDTDQUGDGJG-UHFFFAOYSA-N4-(5,6-dimethoxybenzothiazolyl)benzoic acid
Database identifiers
- PubChem CID
- 54559524
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
Loading…