Ethyl 2-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Basic information
- CAS
445429-63-0- Standard SMILES
CCOC(=O)c1sc(N2N=C(C)C(=Cc3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)C2=O)nc1C- InChIKey
RXEYPWWBQPPGGA-UHFFFAOYSA-N- Molecular formula
- C23H17ClF3N3O4S
- Average molar mass
- 523.9 g/mol
- Monoisotopic mass
- 523.0580394
Names & identifiers
- Preferred name
- Ethyl 2-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- English name
- ethyl 2-[4-({5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl}methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- Molecular formula
- C23H17ClF3N3O4S
- Molecular weight
- 523.91
Names & synonyms
ethyl 2-[4-({5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl}methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
445429-63-0- PubChem CID
- 1018669
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 902
Physicochemical properties
- Boiling point
- 601.929 · 601.929±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.491 · 1.491±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.004 · 1.004±0.10(predicted)
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