Basic information
- Standard SMILES
O=C(Nc1scc(-c2ccc3scnc3c2)c1C(=O)O)c1cc2ccccc2o1- InChIKey
MHCJVZFPOZBTDH-UHFFFAOYSA-N- Molecular formula
- C21H12N2O4S2
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 2-(Benzo[d]furan-2-ylcarbonylamino)-4-benzothiazol-5-ylthiophene-3-carboxylic acid
- IUPAC
- 2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid
Names & synonyms
SCHEMBL2181508MHCJVZFPOZBTDH-UHFFFAOYSA-N2-(benzo[d]furan-2-ylcarbonylamino)-4-benzothiazol-5-ylthiophene-3-carboxylic acid
Database identifiers
- PubChem CID
- 46186147
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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