Basic information
- CAS
743439-32-9- Standard SMILES
CC(C)OC(=O)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1- InChIKey
GMARJZSRFLOPHZ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.08816355
Names & identifiers
- Preferred name
- propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
- IUPAC
- propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
Names & synonyms
743439-32-9propan-2-yl (4-oxo-6-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetatepropan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetateMLS001174613CHEMBL1580557DTXSID601321188HMS2873G24AKOS002205983SMR000589044ST50134685SR-01000050314SR-01000050314-1
Show more names
Z55165001methylethyl 2-(4-oxo-6-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-2-yl)acetate
Database identifiers
- CAS
743439-32-9- PubChem CID
- 2106367
- DTXSID
DTXSID601321188- ChEMBL
CHEMBL1580557
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Experimental & physicochemical properties
Solubility2 [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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