Basic information
- Standard SMILES
CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])C(C(=O)O)N(Cc1ccccc1)Cc1ccccc1- InChIKey
UQLAWUHOVWNHDO-UHFFFAOYSA-N- Molecular formula
- C25H25FN2O5
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- 2-Dibenzylamino-3-(4-fluoro-2-nitro-phenoxy)-3-methyl-butyric acid
- IUPAC
- 2-(dibenzylamino)-3-(4-fluoro-2-nitrophenoxy)-3-methylbutanoic acid
Names & synonyms
SCHEMBL1562446UQLAWUHOVWNHDO-UHFFFAOYSA-N2-dibenzylamino-3-(4-fluoro-2-nitro-phenoxy)-3-methyl-butyric acid
Database identifiers
- PubChem CID
- 21091402
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 623
Related reactions
4 records
Compound notes
Loading…