Basic information
- Standard SMILES
CC1(C)CC(S(=O)(=O)Cc2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)=NO1- InChIKey
GOJZKELWLXCABR-UHFFFAOYSA-N- Molecular formula
- C16H15ClF3N3O3S
- Average molar mass
- 421.8 g/mol
Names & identifiers
- Preferred name
- 3-(5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-ylmethylsulfonyl)-5,5-dimethyl-2-isoxazoline
- IUPAC
- 3-[[5-chloro-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
Names & synonyms
3-(5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-ylmethylsulfonyl)-5,5-dimethyl-2-isoxazolineSCHEMBL3381498
Database identifiers
- PubChem CID
- 17862913
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 687
Related reactions
3 records
Compound notes
Loading…