Basic information
- Standard SMILES
CN(C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1- InChIKey
JMDBNWXKCFXPNX-UHFFFAOYSA-N- Molecular formula
- C19H27BrN2O3
- Average molar mass
- 411.3 g/mol
Names & identifiers
- Preferred name
- {4-[(4-Bromo-phenyl)-methyl-carbamoyl]-trans-cyclohexyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[(4-bromophenyl)-methylcarbamoyl]cyclohexyl]carbamate
Names & synonyms
SCHEMBL2394045SCHEMBL2394049JMDBNWXKCFXPNX-CTYIDZIISA-N{4-[(4-Bromo-phenyl)-methyl-carbamoyl]-trans-cyclohexyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58438182
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
1 records
Compound notes
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