Basic information
- Standard SMILES
Cc1nc(C)c(Cc2nc3c(F)c(F)cc(F)c3s2)cc1CC#N- InChIKey
RLBXWIUKFLZTAQ-UHFFFAOYSA-N- Molecular formula
- C17H12F3N3S
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-5-(4,5,7-trifluorobenzothiazole-2-yl-methyl)-pyridin-3-yl-acetonitrile
- IUPAC
- 2-[2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridinyl]acetonitrile
Names & synonyms
SCHEMBL4165703RLBXWIUKFLZTAQ-UHFFFAOYSA-N2,6-dimethyl-5-(4,5,7-trifluorobenzothiazole-2-yl-methyl)-pyridin-3-yl-acetonitrile
Database identifiers
- PubChem CID
- 68939151
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
3 records
Compound notes
Loading…