Basic information
- Standard SMILES
CCOC(=O)COC(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1- InChIKey
AUWIXJQHLICNPT-UHFFFAOYSA-N- Molecular formula
- C21H22F3N3O4
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.15624068
Names & identifiers
- Preferred name
- 2-(Ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazinecarboxylate
- IUPAC
- (2-ethoxy-2-oxoethyl) 4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine-1-carboxylate
Names & synonyms
2-(ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazinecarboxylateSCHEMBL5935242-(ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate2-(ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazine-carboxylate
Database identifiers
- PubChem CID
- 60209552
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 603
Related reactions
7 records
Compound notes
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