Basic information
- Standard SMILES
CCOC(=O)C=CC1CN(C(=O)OC)CC(c2cc(F)c(F)c(F)c2)N1- InChIKey
NOQAVTKTDIJBPJ-UHFFFAOYSA-N- Molecular formula
- C17H19F3N2O4
- Average molar mass
- 372.34 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(2-ethoxycarbonylvinyl)-5-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
- IUPAC
- methyl 3-(3-ethoxy-3-oxoprop-1-enyl)-5-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL2586240NOQAVTKTDIJBPJ-UHFFFAOYSA-Nmethyl 3-(2-ethoxycarbonylvinyl)-5-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 67464101
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
3 records
Compound notes
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