Basic information
- Standard SMILES
CCCC=CCC(CC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)O- InChIKey
CJGVMKOYCJPINN-UHFFFAOYSA-N- Molecular formula
- C25H26FN3O4
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.19073448
Names & identifiers
- Preferred name
- 2-{[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenylcarbamoyl]methyl}oct-4-enoic acid
- IUPAC
- 2-[2-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-2-oxoethyl]oct-4-enoic acid
Names & synonyms
SCHEMBL3388044CJGVMKOYCJPINN-UHFFFAOYSA-N2-{[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenylcarbamoyl]methyl}oct-4-enoic acid
Database identifiers
- PubChem CID
- 68623893
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 769
Related reactions
4 records
Compound notes
Loading…