RefChem:272117
3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, ethyl 2-propenyl ester|3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate|Ethyl prop-2-en-1-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate|Ethyl Prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C21H22F3NO4 |
|---|---|
| Molecular Weight | 409.1501 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.1501 |
| Monoisotopic Mass | 409.1501 |
| Heavy Atoms | 29 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 5181-36-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC=C)C)C |
| InChIKey | GDVPABWYDPSARA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:272117 (CAS 5181-36-2), with molecular formula C21H22F3NO4 and molecular weight 409.1501 g/mol. IUPAC: 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.