Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(CO)cn2)cc1- InChIKey
UULPPROSRWBOOG-UHFFFAOYSA-N- Molecular formula
- C28H31F3N2O5
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.21850658
Names & identifiers
- Preferred name
- Ethyl 2-[4-(2-{[5-(hydroxymethyl)pyridin-2-yl][4-(trifluoromethoxy)benzyl]amino}ethyl)phenoxy]-2-methylpropanoate
- IUPAC
- ethyl 2-[4-[2-[[5-(hydroxymethyl)-2-pyridinyl]-[[4-(trifluoromethoxy)phenyl]methyl]amino]ethyl]phenoxy]-2-methylpropanoate
Names & synonyms
ethyl 2-[4-(2-{[5-(hydroxymethyl)pyridin-2-yl][4-(trifluoromethoxy)benzyl]amino}ethyl)phenoxy]-2-methylpropanoateSCHEMBL4574849
Database identifiers
- PubChem CID
- 69099388
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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