Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate
Basic information
- CAS
62415-93-4- Standard SMILES
CCOC(=O)N1C=CC(=C2C(=C3C=CN(C(=O)OCC)C=C3)C(=C3C=CN(C(=O)OCC)C=C3)C2=C2C=CN(C(=O)OCC)C=C2)C=C1- InChIKey
RRFZNTZTIXTQNT-UHFFFAOYSA-N- Molecular formula
- C36H36N4O8
- Average molar mass
- 652.7 g/mol
- Monoisotopic mass
- 652.25331412
Names & identifiers
- Preferred name
- Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate
- IUPAC
- ethyl 4-[2,3,4-tris(1-ethoxycarbonyl-4-pyridinylidene)cyclobutylidene]pyridine-1-carboxylate
Names & synonyms
62415-93-4NSC350013ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylateCHEMBL1994144DTXSID00319740NSC-350013tetrakis(N-carboethoxy-4h-pyridin-4-ylidene)cyclobutaneTetraethyl 4,4',4'',4'''-(cyclobutane-1,2,3,4-tetraylidene)tetra(pyridine-1(4H)-carboxylate)
Database identifiers
- CAS
62415-93-4- PubChem CID
- 336310
- DTXSID
DTXSID00319740- ChEMBL
CHEMBL1994144- Nikkaji
- J2.561.031H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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