Basic information
- Standard SMILES
O=C(Cn1c(=O)ccc2ncccc21)Nc1scc(Br)c1-c1ncn[nH]1- InChIKey
MVTVJCLMGSSGAD-UHFFFAOYSA-N- Molecular formula
- C16H11BrN6O2S
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-1,5-naphthyridin-1(2H)-yl)acetamide
- IUPAC
- N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-1,5-naphthyridin-1-yl)acetamide
Names & synonyms
N-(4-Bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-1,5-naphthyridin-1(2H)-yl)acetamideSCHEMBL3785455CHEMBL6008740MVTVJCLMGSSGAD-UHFFFAOYSA-NUS9796706, Compound 97BDBM351653
Database identifiers
- PubChem CID
- 59636685
- ChEMBL
CHEMBL6008740
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 593
Related reactions
3 records
Compound notes
Loading…