Basic information
- Standard SMILES
CCCc1nc2cc(N(Cc3ccc(C#N)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O- InChIKey
DYXIQUCZQWZABP-UHFFFAOYSA-N- Molecular formula
- C26H23FN4O4S
- Average molar mass
- 506.5 g/mol
Names & identifiers
- Preferred name
- {5-[(4-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid
- IUPAC
- 2-[5-[(4-cyanophenyl)methyl-(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetic acid
Names & synonyms
SCHEMBL1885044DYXIQUCZQWZABP-UHFFFAOYSA-N{5-[(4-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid
Database identifiers
- PubChem CID
- 11613102
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 903
Related reactions
2 records
Compound notes
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