Basic information
- Standard SMILES
C#Cc1ccc2c(ccc(=O)n2CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c1- InChIKey
PQXQYLAXUMZODS-UHFFFAOYSA-N- Molecular formula
- C19H12BrN5O2S
- Average molar mass
- 454.3 g/mol
Names & identifiers
- Preferred name
- N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(6-ethynyl-2-oxoquinolin-1(2H)-yl)acetamide
- IUPAC
- N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(6-ethynyl-2-oxoquinolin-1-yl)acetamide
Names & synonyms
N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(6-ethynyl-2-oxoquinolin-1(2H)-yl)acetamideSCHEMBL3785665CHEMBL5943399PQXQYLAXUMZODS-UHFFFAOYSA-NBDBM351676US9796706, Compound 120
Database identifiers
- PubChem CID
- 59636680
- ChEMBL
CHEMBL5943399
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 710
Related reactions
3 records
Compound notes
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