4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isothiazol-3-yl]-2-methyl-benzamide
Basic information
- Standard SMILES
Cc1cc(C2=NSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O- InChIKey
SNBYNQQXAXRJDP-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2F3N2OS
- Average molar mass
- 433.3 g/mol
Names & identifiers
- Preferred name
- 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isothiazol-3-yl]-2-methyl-benzamide
- IUPAC
- 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylbenzamide
Names & synonyms
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isothiazol-3-yl]-2-methyl-benzamideSCHEMBL14785201
Database identifiers
- PubChem CID
- 89444576
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 608
Related reactions
3 records
Compound notes
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