Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)CC1- InChIKey
FKFNQKOOYVUIIY-UHFFFAOYSA-N- Molecular formula
- C23H27F2N3O4
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.19696268
Names & identifiers
- Preferred name
- 1-(Tert-butoxycarbonyl)-4-[2,6-difluoro-4-(benzyloxycarbonyl)aminophenyl]piperazine
- IUPAC
- tert-butyl 4-[2,6-difluoro-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2449157FKFNQKOOYVUIIY-UHFFFAOYSA-N1-(tert-butoxycarbonyl)-4-[2,6-difluoro-4-(benzyloxycarbonyl)aminophenyl]piperazine4-(4-Benzyloxycarbonylamino-2,6-difluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 21462617
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Related reactions
4 records
Linked notes
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