Basic information
- Standard SMILES
COc1cc(OC)cc(C(C)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)C(F)(F)F)c1- InChIKey
FAJMTBABRZVSJJ-UHFFFAOYSA-N- Molecular formula
- C27H34F3N3O5
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.24505568
Names & identifiers
- Preferred name
- t-Butyl 4-(3-(1-(3,5-dimethoxyphenyl)ethylamino)-4-(2,2,2-trifluoroacetyl)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[3-[1-(3,5-dimethoxyphenyl)ethylamino]-4-(2,2,2-trifluoroacetyl)phenyl]piperazine-1-carboxylate
Names & synonyms
t-butyl 4-(3-(1-(3,5-dimethoxyphenyl)ethylamino)-4-(2,2,2-trifluoroacetyl)phenyl)piperazine-1-carboxylateSCHEMBL1748300
Database identifiers
- PubChem CID
- 58707263
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 786
Related reactions
10 records
Compound notes
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