Basic information
- CAS
878577-73-2- Standard SMILES
O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1O- InChIKey
YEFUDHBVOKTWQF-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.03612798
Names & identifiers
- Preferred name
- (5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
- IUPAC
- (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
Names & synonyms
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoateMLS002158823CHEMBL1719068DTXSID901333453HMS3083D08AKOS001247722878577-73-2SMR001241288Z19702901(5-Oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
Database identifiers
- CAS
878577-73-2- PubChem CID
- 2653716
- DTXSID
DTXSID901333453- ChEMBL
CHEMBL1719068
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 555
Experimental & physicochemical properties
Solubility22.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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