Benzyl 3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

HCID 178819082

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 339156-55-7
Standard SMILES: Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIKey: LYKHBTSJTXOYQG-UHFFFAOYSA-N
Molecular formula: C20H13F3N2O2S2
Average molar mass: 434.5 g/mol

Names & identifiers

Preferred name: Benzyl 3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
IUPAC: benzyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
English name: benzyl 3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
Molecular formula: C20H13F3N2O2S2
Molecular weight: 434.4546296

Names & synonyms

benzyl 3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylatebenzyl 3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylateSTK746843AKOS001706248benzyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylateEU-0050702AG-205/11317055SR-01000507774SR-01000507774-1339156-55-7

Database identifiers

CAS: 339156-55-7

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 122 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 589

Chemistry & industry

Suppliers1 total

SPECS[email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…