N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide

HCID 10099786

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

Related reactions

6 records

Compound notes

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