Basic information
- CAS
113614-54-3- Standard SMILES
CN1O[C@H](c2c(Cl)cccc2Cl)C[C@@]1(Cn1ccnc1)c1ccc(Cl)cc1- InChIKey
DLWGYWVYKHEBNZ-AZUAARDMSA-N- Molecular formula
- C20H18Cl3N3O
- Average molar mass
- 422.7 g/mol
- Monoisotopic mass
- 421.051545
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidine
- IUPAC
- (3S,5S)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
Names & synonyms
113614-54-33-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidine3-((1H-Imidazol-1-yl)methyl)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-2-methylisoxazolidineCHEMBL292218DTXSID10921136(3S,5S)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine(3S,5S)-3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-[(1H-imidazol-1-yl)methyl]-2-methyl-1,2-oxazolidine3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-[(1H-imidazol-1-yl)methyl]-2-methyl-1,2-oxazolidine
Database identifiers
- CAS
113614-54-3- PubChem CID
- 516646
- DTXSID
DTXSID10921136- ChEMBL
CHEMBL292218
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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