ST061321
Basic information
- CAS
313970-38-6- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1- InChIKey
APYIVQOKMPJKFX-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- ST061321
- IUPAC
- ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
Names & synonyms
5727-59-3ST061321DTXSID80386536RefChem:381427DTXCID30337558ethyl 2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carboxylateethyl 2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-3-pyridinecarboxylateMLS000061258Oprea1_244959Oprea1_326227CHEMBL1898219SCHEMBL28487208
Show more names
HMS2326H20ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylateMFCD00816354STK025722AKOS000654988AKOS022079660SMR000070127CCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1
Database identifiers
- CAS
313970-38-6、5727-59-3- PubChem CID
- 2864982
- DTXSID
DTXSID80386536- ChEMBL
CHEMBL1898219- EC Number
- 159-713-1
- Nikkaji
- J1.406.702G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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