diethyl 1-benzyl-4-(4-chlorophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
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Basic information
- CAS
146763-31-7- Standard SMILES
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1- InChIKey
IKEWCMYLXDPLGD-UHFFFAOYSA-N- Molecular formula
- C26H28ClNO4
- Average molar mass
- 454 g/mol
- Monoisotopic mass
- 453.1706861
Names & identifiers
- Preferred name
- diethyl 1-benzyl-4-(4-chlorophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
- IUPAC
- diethyl 1-benzyl-4-(4-chlorophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
- English name
- diethyl 1-benzyl-4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Molecular formula
- C26H28ClNO4
- Molecular weight
- 453.95782
Names & synonyms
diethyl 1-benzyl-4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateOprea1_016307Oprea1_839168AKOS000505181diethyl 1-benzyl-4-(4-chlorophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylateST50337194AG-690/36721040ethyl 4-(4-chlorophenyl)-5-(ethoxycarbonyl)-2,6-dimethyl-1-benzyl-1,4-dihydrop yridine-3-carboxylate
Database identifiers
- CAS
146763-31-7- PubChem CID
- 1731763
- Nikkaji
- J518.169K
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 703
Related reactions
0 records
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Compound notes
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