Basic information
- CAS
351065-80-0- Standard SMILES
CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)S2)CC1- InChIKey
SZKDWADIJQMOTQ-UHFFFAOYSA-N- Molecular formula
- C25H26N2O4S
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.16132849
Names & identifiers
- Preferred name
- Ethyl 1-[4,5-dihydro-4-oxo-5-[[4-(phenylmethoxy)phenyl]methylene]-2-thiazolyl]-4-piperidinecarboxylate
- IUPAC
- ethyl 1-[4-oxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate
Names & synonyms
DTXSID901112679351065-80-0Ethyl 1-[4,5-dihydro-4-oxo-5-[[4-(phenylmethoxy)phenyl]methylene]-2-thiazolyl]-4-piperidinecarboxylateEthyl 1-(5-{[4-(benzyloxy)phenyl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate
Database identifiers
- CAS
351065-80-0- PubChem CID
- 3945596
- DTXSID
DTXSID901112679
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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