3-Methyl 5-(2,2,2-trifluoroethyl) 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Basic information
- CAS
74687-14-2- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(F)(F)F)C1c1ccccc1Cl- InChIKey
XBNFAKYRYKBSAO-UHFFFAOYSA-N- Molecular formula
- C18H17ClF3NO4
- Average molar mass
- 403.8 g/mol
- Monoisotopic mass
- 403.0798202
Names & identifiers
- Preferred name
- 3-Methyl 5-(2,2,2-trifluoroethyl) 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
- IUPAC
- 3-O-methyl 5-O-(2,2,2-trifluoroethyl) 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- methyl 2,2,2-trifluoroethyl 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
- Molecular formula
- C18H17ClF3NO4
- Molecular weight
- 403.78
Names & synonyms
74687-14-2Bay-k 9320BAY k 9320BAY-K-9320RefChem:911496277-968-83-Methyl 5-(2,2,2-trifluoroethyl) 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylateMethyl 2,2,2-trifluoroethyl 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylateEINECS 277-968-8SCHEMBL9765773DTXSID30996205NS00059766
Show more names
4-(2-Chlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid 3-methyl 5-(2,2,2-trifluoroethyl) ester3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-(2,2,2-trifluoroethyl) ester
4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl-2,2,2-trifluoroethyl esterMethyl 2,2,2-trifluoroethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
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Compound notes
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