Basic information
- Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1NC1CCN(Cc2ccccc2)CC1- InChIKey
KNBUSTRHAMKMTM-UHFFFAOYSA-N- Molecular formula
- C22H24BrN3O
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.11027
Names & identifiers
- Preferred name
- (1-Benzyl-piperidin-4-yl)-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-amine
- IUPAC
- N-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-amine
Names & synonyms
SCHEMBL3892KNBUSTRHAMKMTM-UHFFFAOYSA-N(1-Benzyl-piperidin-4-yl)-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-amine
Database identifiers
- PubChem CID
- 66577607
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Related reactions
3 records
Compound notes
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