Dimethyl 4-(5-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
Basic information
- CAS
4441-16-1- Standard SMILES
COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)C=C(C(=O)OC)C1c1ccc(C)s1- InChIKey
UHTDGIYKKZCLST-UHFFFAOYSA-N- Molecular formula
- C21H18F3NO4S
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.09086372
Names & identifiers
- Preferred name
- Dimethyl 4-(5-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 4-(5-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
Names & synonyms
ZINC11206884441-16-1ST50615158dimethyl 4-(5-methyl-2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylateDimethyl 4-(5-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylateDTXSID90361672MFCD03718223STK404312ZINC01120688AKOS003332176dimethyl 4-(5-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateZINC000001120688
Show more names
SR-01000258934SR-01000258934-1CC1=CC=C(S1)C2C(=CN(C=C2C(=O)OC)C3=CC=CC(=C3)C(F)(F)F)C(=O)OCdimethyl4(5methylthiophen2yl)1(3(trifluoromethyl)phenyl)14dihydropyridine35dicarboxylateDIMETHYL4(5METHYLTHIOPHEN2YL)1(3(TRIFLUOROMETHYL)PHENYL)4HPYRIDINE35DICARBOXYLATEmethyl 5-(methoxycarbonyl)-4-(5-methyl(2-thienyl))-1-[3-(trifluoromethyl)pheny l]-1,4-dihydropyridine-3-carboxylateMETHYL5(METHOXYCARBONYL)4(5METHYL(2THIENYL))1(3(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
Database identifiers
- CAS
4441-16-1- PubChem CID
- 1297451
- DTXSID
DTXSID90361672
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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