Basic information
- Standard SMILES
Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1- InChIKey
BUSOHISTSQHOLT-UHFFFAOYSA-N- Molecular formula
- C31H33F3N4O4
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.24539003
Names & identifiers
- Preferred name
- N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide
- IUPAC
- N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide
Names & synonyms
N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamideCHEMBL172089SCHEMBL5225586
Database identifiers
- PubChem CID
- 10099786
- ChEMBL
CHEMBL172089
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 864
Related reactions
6 records
Compound notes
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