Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1- InChIKey
WTHBVDDZWXFKBY-UHFFFAOYSA-N- Molecular formula
- C22H25N3O5
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-benzoyl-2-nitrophenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-benzoyl-2-nitrophenyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL4439503WTHBVDDZWXFKBY-UHFFFAOYSA-Ntert-butyl 4-(4-benzoyl-2-nitrophenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 69045013
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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