Basic information
- Standard SMILES
O=C(O)C1CCC(CNC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)ccc32)CC1- InChIKey
YTSATDALUDIFMW-UHFFFAOYSA-N- Molecular formula
- C29H33ClFN3O3
- Average molar mass
- 526 g/mol
Names & identifiers
- Preferred name
- (-)-trans-4-({2-[2-(4-Chloro-phenyl)-5-fluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-methyl)-cyclohexanecarboxylic acid
- IUPAC
- 4-[[[2-[2-(4-chlorophenyl)-5-fluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL3444832SCHEMBL3444853YTSATDALUDIFMW-KQAFIPIZSA-N(-)-trans-4-({2-[2-(4-Chloro-phenyl)-5-fluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-methyl)-cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 44198097
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 780
Related reactions
5 records
Compound notes
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