Basic information
- Standard SMILES
CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)C=[N+]=[N-])cc1- InChIKey
XQYMNGLJCUBEHK-IBGZPJMESA-N- Molecular formula
- C22H25N3O4
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- benzyl [2-(4-tert.butoxyphenyl)-1(S)-(2-diazoacetyl)ethyl]carbamate
- IUPAC
- benzyl N-[(2S)-4-diazo-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxobutan-2-yl]carbamate
Names & synonyms
XQYMNGLJCUBEHK-IBGZPJMESA-Nbenzyl [2-(4-tert.butoxyphenyl)-1(S)-(2-diazoacetyl)ethyl]carbamate
Database identifiers
- PubChem CID
- 57129157
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
3 records
Compound notes
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