Basic information
- Standard SMILES
O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1cc(F)cnc1Cc1ccc(F)cc1- InChIKey
LLVOOTYLKLJJDO-UHFFFAOYSA-N- Molecular formula
- C21H16F2N6O
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-2-(4-fluorobenzyl)-N-[4-(2H-tetrazol-5-YL)benzyl]nicotinamide
- IUPAC
- 5-fluoro-2-[(4-fluorophenyl)methyl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL4450910LLVOOTYLKLJJDO-UHFFFAOYSA-N5-FLUORO-2-(4-FLUOROBENZYL)-N-[4-(2H-TETRAZOL-5-YL)BENZYL]NICOTINAMIDE
Database identifiers
- PubChem CID
- 58905382
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 554
Related reactions
2 records
Compound notes
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