Basic information
- Standard SMILES
COC(=O)C(C)Oc1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1- InChIKey
GVFMEKIUHFVAAO-UHFFFAOYSA-N- Molecular formula
- C31H29ClF3N3O4
- Average molar mass
- 600 g/mol
Names & identifiers
- Preferred name
- 2-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-propionic acid methyl ester
- IUPAC
- methyl 2-[4-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]-3-fluorophenoxy]propanoate
Names & synonyms
SCHEMBL3445364GVFMEKIUHFVAAO-UHFFFAOYSA-N2-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 68645495
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 922
Related reactions
2 records
Compound notes
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