Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1- InChIKey
MEQDTMVVEKEECH-UHFFFAOYSA-N- Molecular formula
- C32H50F3NO5
- Average molar mass
- 585.7 g/mol
- Monoisotopic mass
- 585.36410818
Names & identifiers
- Preferred name
- tert-Butyl ethyl 4-[15-(trifluoromethyl)pentadecylamino]benzoylmalonate
- IUPAC
- 3-O-tert-butyl 1-O-ethyl 2-[4-(16,16,16-trifluorohexadecylamino)benzoyl]propanedioate
Names & synonyms
tert-Butyl ethyl 4-[15-(trifluoromethyl)pentadecylamino]benzoylmalonateSCHEMBL11254397
Database identifiers
- PubChem CID
- 20549324
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 743
Related reactions
9 records
Compound notes
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