Basic information
- CAS
885964-40-9- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccco3)c(=O)n2C1c1ccc(F)cc1- InChIKey
YLCWJQPDMJEWIV-UHFFFAOYSA-N- Molecular formula
- C26H19FN2O4S
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.10495643
Names & identifiers
- Preferred name
- Ethyl 5-(4-fluorophenyl)-2-(2-furanylmethylene)-2,3-dihydro-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(4-fluorophenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID001105837885964-40-9Ethyl 5-(4-fluorophenyl)-2-(2-furanylmethylene)-2,3-dihydro-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
885964-40-9- PubChem CID
- 165367149
- DTXSID
DTXSID001105837
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 902
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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