1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-chloro-6-fluorophenyl)-3-methyl-, (1R,3R)-rel-
Basic information
- CAS
217322-00-4- Standard SMILES
C[C@H]1S[C@H](c2c(F)cccc2Cl)n2c1nc1ccccc12- InChIKey
ANWLALHSVVQOAU-JDNHERCYSA-N- Molecular formula
- C16H12ClFN2S
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.0393754
Names & identifiers
- Preferred name
- 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-chloro-6-fluorophenyl)-3-methyl-, (1R,3R)-rel-
- IUPAC
- (1R,3R)-1-(2-chloro-6-fluorophenyl)-3-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Names & synonyms
217322-00-41H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-chloro-6-fluorophenyl)-3-methyl-, (1R,3R)-rel-trans-1-(2-chloro-6-fluorophenyl)-3-methyl-1H,3H-thiazolo(3,4-a)benzimidazole1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6-fluorophenyl)-3-methyl-, (1R,3R)-rel-trans-1-(2-chloro-6-fluorophenyl)-3-methyl-1H,3H-thiazolo[3,4-a]benzimidazoleDTXSID30176126(1R,3R)-1-(2-chloro-6-fluoro-phenyl)-3-methyl-1,3-dihydrothiazolo[3,4-a]benzimidazole(1R,3R)-1-(2-Chloro-6-fluorophenyl)-3-methyl-1H,3H-[1,3]thiazolo[3,4-a][1,3]benzimidazole
Database identifiers
- CAS
217322-00-4- PubChem CID
- 469797
- DTXSID
DTXSID30176126
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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