Basic information
- Standard SMILES
CCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C- InChIKey
VPEYQQLNFYHVPX-UHFFFAOYSA-N- Molecular formula
- C22H26FN3O4S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- [5-(4-Fluoro-benzenesulfonylamino)-2-propyl-benzoimidazol-1-yl]-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[5-[(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetate
Names & synonyms
SCHEMBL1889802VPEYQQLNFYHVPX-UHFFFAOYSA-N[5-(4-Fluoro-benzenesulfonylamino)-2-propyl-benzoimidazol-1-yl]-acetic acid tert-butyl ester[5-(4-fluoro-benzenesulfonylamino)-2-propyl-berizoimidazol-1-yl]-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67201670
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 713
Related reactions
39 records
Compound notes
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