ethyl 2-amino-5-cyano-4-(4-methylphenyl)-6-phenyl-4H-pyran-3-carboxylate
Basic information
- CAS
66727-78-4- Standard SMILES
CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)C1c1ccc(C)cc1- InChIKey
VQQOUYSIDIGHJX-UHFFFAOYSA-N- Molecular formula
- C22H20N2O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.1473925
Names & identifiers
- Preferred name
- ethyl 2-amino-5-cyano-4-(4-methylphenyl)-6-phenyl-4H-pyran-3-carboxylate
- IUPAC
- ethyl 2-amino-5-cyano-4-(4-methylphenyl)-6-phenyl-4H-pyran-3-carboxylate
Names & synonyms
66727-78-4DTXSID80319268ethyl 2-amino-5-cyano-4-(4-methylphenyl)-6-phenyl-4H-pyran-3-carboxylateRefChem:342641DTXCID90270391NSC343219NSC-343219DS-0151084H-PYRAN-3-CARBOXYLICACID, 2-AMINO-5-CYANO-4-(4-METHYLPHENYL)-6-PHENYL-, ETHYL ESTER
Database identifiers
- CAS
66727-78-4- PubChem CID
- 335075
- DTXSID
DTXSID80319268
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…