Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NCC(=O)c2ccc(Br)cc2)CCC1- InChIKey
WFRVOAOQPQPFLV-UHFFFAOYSA-N- Molecular formula
- C18H23BrN2O4
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.08412
Names & identifiers
- Preferred name
- {1-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-cyclobutyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]cyclobutyl]carbamate
Names & synonyms
SCHEMBL204243WFRVOAOQPQPFLV-UHFFFAOYSA-N1256386-74-9DA-32246{1-[2-(4-bromo-phenyl)-2-oxo-ethylcarbamoyl]-cyclobutyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66620541
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
7 records
Compound notes
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