Basic information
- Standard SMILES
CCN(Cc1cc(C(C)(C)O)ccc1Br)C(=O)OCc1ccccc1- InChIKey
GUHHGDGSQHTOHP-UHFFFAOYSA-N- Molecular formula
- C20H24BrNO3
- Average molar mass
- 406.3 g/mol
Names & identifiers
- Preferred name
- [2-Bromo-5-(1-hydroxy-1-methyl-ethyl)-benzyl]-ethyl-carbamic acid benzyl ester
- IUPAC
- benzyl N-[[2-bromo-5-(2-hydroxypropan-2-yl)phenyl]methyl]-N-ethylcarbamate
Names & synonyms
SCHEMBL137339GUHHGDGSQHTOHP-UHFFFAOYSA-N[2-Bromo-5-(1-hydroxy-1-methyl-ethyl)-benzyl]-ethyl-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 58149231
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 423
Related reactions
9 records
Compound notes
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