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Basic information
- Standard SMILES
O=C(CN1C(=O)CCc2cnccc21)Nc1scc(Br)c1-c1ncn[nH]1- InChIKey
FPDZAKLFVYZFFE-UHFFFAOYSA-N- Molecular formula
- C16H13BrN6O2S
- Average molar mass
- 433.3 g/mol
Names & identifiers
- Preferred name
- N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-3,4-dihydro-1,6-naphthyridin-1(2H)-yl)acetamide
- IUPAC
- N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,6-naphthyridin-1-yl)acetamide
Names & synonyms
N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-3,4-dihydro-1,6-naphthyridin-1(2H)-yl)acetamideSCHEMBL3782431CHEMBL5872884FPDZAKLFVYZFFE-UHFFFAOYSA-NUS9796706, Compound 98BDBM351654
Database identifiers
- PubChem CID
- 59636644
- ChEMBL
CHEMBL5872884
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
3 records
Compound notes
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