3-[3-(dibromomethyl)-1,2-benzisothiazol-5-yl]-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

HCID 22119839
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Basic information

Standard SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(Br)Br)c3c2)c1=O
InChIKey
SILJXCPCJNNHNV-UHFFFAOYSA-N
Molecular formula
C14H8Br2F3N3O2S
Average molar mass
499.1 g/mol

Names & identifiers

Preferred name
3-[3-(dibromomethyl)-1,2-benzisothiazol-5-yl]-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
IUPAC
3-[3-(dibromomethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

Names & synonyms

3-[3-(dibromomethyl)-1,2-benzisothiazol-5-yl]-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL6766192

Database identifiers

PubChem CID
22119839

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
81.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
25

Related reactions

5 records
New reaction record

Linked notes

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