4-Chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-1,3-benzothiazol-2-amine
Basic information
- Standard SMILES
Cn1nc(-c2c(F)cc(Cl)c3nc(N)sc23)c(Cl)c1OC(F)F- InChIKey
IYBBDTIQBUESSL-UHFFFAOYSA-N- Molecular formula
- C12H7Cl2F3N4OS
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 381.9669719
Names & identifiers
- Preferred name
- 4-Chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-1,3-benzothiazol-2-amine
- IUPAC
- 4-chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-1,3-benzothiazol-2-amine
Names & synonyms
SCHEMBL6586722IYBBDTIQBUESSL-UHFFFAOYSA-N4-chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-1,3-benzothiazol-2-amine
Database identifiers
- PubChem CID
- 21998169
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
3 records
Compound notes
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