4-Chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-2-propyl-1,3-benzothiazole
Basic information
- Standard SMILES
CCCc1nc2c(Cl)cc(F)c(-c3nn(C)c(OC(F)F)c3Cl)c2s1- InChIKey
YSMMBYAAQNSHFV-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2F3N3OS
- Average molar mass
- 410.2 g/mol
- Monoisotopic mass
- 409.0030231
Names & identifiers
- Preferred name
- 4-Chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-2-propyl-1,3-benzothiazole
- IUPAC
- 4-chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-2-propyl-1,3-benzothiazole
Names & synonyms
SCHEMBL6587346YSMMBYAAQNSHFV-UHFFFAOYSA-N4-chloro-7-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-fluoro-2-propyl-1,3-benzothiazole
Database identifiers
- PubChem CID
- 21998164
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
Loading…