Basic information
- Standard SMILES
Cc1ccc(-c2ccc(OCc3nc(C(=O)O)cs3)cc2)cc1- InChIKey
SLARHVRWQXFPLY-UHFFFAOYSA-N- Molecular formula
- C18H15NO3S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.07726451
Names & identifiers
- Preferred name
- 2-(4'-Methyl-biphenyl-4-yloxymethyl)-thiazole-4-carboxylic acid
- IUPAC
- 2-[[4-(4-methylphenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
SCHEMBL3555592SLARHVRWQXFPLY-UHFFFAOYSA-N2-(4'-Methyl-biphenyl-4-yloxymethyl)-thiazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 11313360
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
Related reactions
3 records
Compound notes
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