Basic information
- CAS
113614-50-9- Standard SMILES
CN1O[C@H](c2ccc(Cl)cc2)C[C@@]1(Cn1ccnc1)c1ccc(Cl)cc1- InChIKey
JQNRGBCRWDMIDS-VQTJNVASSA-N- Molecular formula
- C20H19Cl2N3O
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.0905176
Names & identifiers
- Preferred name
- 3,5-Bis-(4-chloro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-isoxazolidine
- IUPAC
- (3S,5S)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
Names & synonyms
CHEMBL2925613,5-Bis-(4-chloro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-isoxazolidine(3S,5S)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine
Database identifiers
- CAS
113614-50-9- PubChem CID
- 516643
- ChEMBL
CHEMBL292561
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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