Basic information
- Standard SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(Cl)Cl)c3c2)c1=O- InChIKey
UPZUDPZZASYIRS-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2F3N3O2S
- Average molar mass
- 410.2 g/mol
Names & identifiers
- Preferred name
- 3-[3-(Dichloromethyl)-1,2-benzisothiazol-5-yl]-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 3-[3-(dichloromethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Names & synonyms
3-[3-(Dichloromethyl)-1,2-benzisothiazol-5-yl]-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL7461721
Database identifiers
- PubChem CID
- 22119982
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 617
Related reactions
1 records
Compound notes
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