Basic information
- Standard SMILES
CCCc1nc2cc(N(CC(=O)OCC)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C- InChIKey
FCSSOKHPMRVIOR-UHFFFAOYSA-N- Molecular formula
- C26H32FN3O6S
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- {5-[Ethoxycarbonylmethyl-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[5-[(2-ethoxy-2-oxoethyl)-(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetate
Names & synonyms
SCHEMBL1889022FCSSOKHPMRVIOR-UHFFFAOYSA-N{5-[Ethoxycarbonylmethyl-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67201391
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 882
Related reactions
2 records
Compound notes
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