Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1- InChIKey
MRUALZVLDNHQCH-UHFFFAOYSA-N- Molecular formula
- C25H31BrN2O5
- Average molar mass
- 519.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-(N-(4-bromobenzyl)-4-((tert-butoxycarbonyl)amino)benzamido)acetate
- IUPAC
- tert-butyl 2-[(4-bromophenyl)methyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]acetate
Names & synonyms
SCHEMBL14125699MRUALZVLDNHQCH-UHFFFAOYSA-Ntert-butyl 2-(N-(4-bromobenzyl)-4-((tert-butoxycarbonyl)amino)benzamido)acetate
Database identifiers
- PubChem CID
- 71076642
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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