Basic information
- Standard SMILES
O=C(O)c1csc(COc2cccc(-c3ccccc3)c2)n1- InChIKey
HZLPGMRVOHCZJM-UHFFFAOYSA-N- Molecular formula
- C17H13NO3S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.06161445
Names & identifiers
- Preferred name
- 2-(Biphenyl-3-yloxymethyl)-thiazole-4-carboxylic acid
- IUPAC
- 2-[(3-phenylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
SCHEMBL3569948HZLPGMRVOHCZJM-UHFFFAOYSA-N2-(Biphenyl-3-yloxymethyl)-thiazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 11243864
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
3 records
Compound notes
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