ethyl 3'-cyano-5-methoxy-2-oxospiro[1-benzofuran-3,7'-4H-pyrazolo[1,5-a]pyrimidine]-6'-carboxylate
Basic information
- CAS
80240-50-2- Standard SMILES
CCOC(=O)C1=CNc2c(C#N)cnn2C12C(=O)Oc1ccc(OC)cc12- InChIKey
WTYOOWPVGLURCT-UHFFFAOYSA-N- Molecular formula
- C18H14N4O5
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 366.09641956
Names & identifiers
- Preferred name
- ethyl 3'-cyano-5-methoxy-2-oxospiro[1-benzofuran-3,7'-4H-pyrazolo[1,5-a]pyrimidine]-6'-carboxylate
- IUPAC
- ethyl 3'-cyano-5-methoxy-2-oxospiro[1-benzofuran-3,7'-4H-pyrazolo[1,5-a]pyrimidine]-6'-carboxylate
Names & synonyms
NSC35429280240-50-2DTXSID00419572NSC-354292Ethyl 3'-cyano-5-methoxy-2-oxo-1'H,2H-spiro[[1]benzofuran-3,7'-pyrazolo[1,5-a]pyrimidine]-6'-carboxylateEthyl 3'-cyano-5-methoxy-2-oxo-4'H-spiro[1-benzofuran-3,7'-pyrazolo[1,5-a]pyrimidine]-6'-carboxylateethyl 3-cyano-5'-methoxy-2'-oxo-spiro[4H-pyrazolo[1,5-a]pyrimidine-7,3'-benzofuran]-6-carboxylate
Database identifiers
- CAS
80240-50-2- PubChem CID
- 337194
- DTXSID
DTXSID00419572
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 731
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…