Basic information
- Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1NC(C)c1cc(-c2ccccc2)no1- InChIKey
PHODKSQIICSKEL-UHFFFAOYSA-N- Molecular formula
- C21H18BrN3O2
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.05824
Names & identifiers
- Preferred name
- [5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-[1-(3-phenyl-isoxazol-5-yl)-ethyl]-amine
- IUPAC
- 5-(4-bromophenyl)-3-methyl-N-[1-(3-phenyl-1,2-oxazol-5-yl)ethyl]-1,2-oxazol-4-amine
Names & synonyms
SCHEMBL4347PHODKSQIICSKEL-UHFFFAOYSA-N[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-[1-(3-phenyl-isoxazol-5-yl)-ethyl]-amine
Database identifiers
- PubChem CID
- 66577674
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 468
Related reactions
3 records
Compound notes
Loading…