Basic information
- CAS
5956-58-1- Standard SMILES
COCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C=Cc1ccc([N+](=O)[O-])cc1- InChIKey
ZVTIESFAZUQCFB-UHFFFAOYSA-N- Molecular formula
- C27H27N3O5S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.16714214
Names & identifiers
- Preferred name
- N-(2-methoxyethyl)-3-(4-nitrophenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]prop-2-enamide
- IUPAC
- N-(2-methoxyethyl)-3-(4-nitrophenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]prop-2-enamide
Names & synonyms
5956-58-1N-(2-methoxyethyl)-3-(4-nitrophenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]prop-2-enamideDTXSID60411178N-(2-Methoxyethyl)-3-(4-nitrophenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethyl]prop-2-enamide
Database identifiers
- CAS
5956-58-1- PubChem CID
- 5222887
- DTXSID
DTXSID60411178
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 789
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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