N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)-3,4-dihydroquinolin-1(2H)-yl)acetamide

HCID 59636645

Notes Reactions

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Basic information

Standard SMILES: O=C(CN1C(=O)CCc2cc(C(F)(F)F)ccc21)Nc1scc(Br)c1-c1ncn[nH]1
InChIKey: GXNJVDPSUZYHFN-UHFFFAOYSA-N
Molecular formula: C18H13BrF3N5O2S
Average molar mass: 500.3 g/mol

Names & identifiers

Preferred name: N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)-3,4-dihydroquinolin-1(2H)-yl)acetamide
IUPAC: N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)-3,4-dihydroquinolin-1-yl]acetamide

Names & synonyms

N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)-3,4-dihydroquinolin-1(2H)-yl)acetamideSCHEMBL3783850CHEMBL5814534BDBM351669US9796706, Compound 113

Database identifiers

PubChem CID: 59636645
ChEMBL: CHEMBL5814534

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 119 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 30
Formal charge: 0
Complexity: 672

Related reactions

3 records

New reaction record

HRID 89339As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1519886As productuspto-grants-2015_07

HRID 2098099As productuspto-grants-2013_05

Compound notes

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