Basic information
- Standard SMILES
Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C(C)O- InChIKey
INPVVUGKEQEGQY-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2F3NO2S
- Average molar mass
- 424.3 g/mol
Names & identifiers
- Preferred name
- 1-{5-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-yl}-ethanol
- IUPAC
- 1-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylthiophen-2-yl]ethanol
Names & synonyms
1-{5-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-3-methyl-thiophen-2-yl}-ethanolSCHEMBL43046
Database identifiers
- PubChem CID
- 66587201
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
4 records
Compound notes
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