Basic information
- Standard SMILES
CCC(=O)N1CC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cccnc4c3)cc2F)C1- InChIKey
CCIJHZHKSPKRHF-UHFFFAOYSA-N- Molecular formula
- C24H22FN5O2
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-fluoro-4-(7-quinolinyl)phenyl]-5-[(1-propanoyl-3-azetidinyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-(2-fluoro-4-quinolin-7-ylphenyl)-3-[(1-propanoylazetidin-3-yl)methyl]-1H-1,2,4-triazol-5-one
Names & synonyms
SCHEMBL2300909CCIJHZHKSPKRHF-UHFFFAOYSA-N4-[2-fluoro-4-(7-quinolinyl)phenyl]-5-[(1-propanoyl-3-azetidinyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 67355414
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
Loading…