1-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)C1(Oc2ccc(NC(=O)C(C3CCCCC3)n3c(-c4ccc(Cl)cc4)nc4cc(F)c(F)cc43)c(F)c2)CC1- InChIKey
QMBCLOJRFBEBBV-UHFFFAOYSA-N- Molecular formula
- C32H29ClF3N3O4
- Average molar mass
- 612 g/mol
Names & identifiers
- Preferred name
- 1-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester
- IUPAC
- methyl 1-[4-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]-3-fluorophenoxy]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL3445338QMBCLOJRFBEBBV-UHFFFAOYSA-N1-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 68645482
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 993
Related reactions
2 records
Compound notes
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