Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)nc1- InChIKey
HTJVEYRABOOWEV-UHFFFAOYSA-N- Molecular formula
- C28H25ClF2N4O3
- Average molar mass
- 539 g/mol
Names & identifiers
- Preferred name
- 6-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-nicotinic acid methyl ester
- IUPAC
- methyl 6-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]pyridine-3-carboxylate
Names & synonyms
SCHEMBL3444893HTJVEYRABOOWEV-UHFFFAOYSA-N6-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-nicotinic acid methyl ester
Database identifiers
- PubChem CID
- 68645264
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 826
Related reactions
4 records
Compound notes
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