Tert-butyl 4-(4-((2-chloro-5-methoxy-4-nitrophenethylamino)methyl)phenyl)piperazine-1-carboxylate
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Basic information
- Standard SMILES
COc1cc(CCNCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Cl)cc1[N+](=O)[O-]- InChIKey
CVEBRCUJPNJMMU-UHFFFAOYSA-N- Molecular formula
- C25H33ClN4O5
- Average molar mass
- 505 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-((2-chloro-5-methoxy-4-nitrophenethylamino)methyl)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[2-(2-chloro-5-methoxy-4-nitrophenyl)ethylamino]methyl]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2593352CVEBRCUJPNJMMU-UHFFFAOYSA-NTert-butyl 4-(4-((2-chloro-5-methoxy-4-nitrophenethylamino)methyl)phenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 67467855
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 684
Related reactions
1 records
Compound notes
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