Basic information
- CAS
506418-84-4- Standard SMILES
CCOC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1- InChIKey
UIGRMPPDAXQVHB-UHFFFAOYSA-N- Molecular formula
- C15H13F3N2O2S
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.06498332
Names & identifiers
- Preferred name
- (4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate
Names & synonyms
506418-84-4Ethyl 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetateethyl {[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetateBAS 02862874(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetic acid ethyl esterMLS000527520CHEMBL1452307DTXSID101167925HMS2297F11AKOS000554690SMR000117994ST072393
Show more names
AG-690/40699977ethyl 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-ylthio]acetate
Database identifiers
- CAS
506418-84-4- PubChem CID
- 801751
- DTXSID
DTXSID101167925- ChEMBL
CHEMBL1452307
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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